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Zinc borate

Odors

No information available

Receptor Interaction

No receptors available
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2D Structure
3D Conformer
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General Information

Common Name: Zinc borate
IUPAC Name: trizinc;diborate
Molecular Formula: B2O6Zn3
SMILES: B([O-])([O-])[O-].B([O-])([O-])[O-].[Zn+2].[Zn+2].[Zn+2]
Inchi: 1S/2BO3.3Zn/c2*2-1(3)4;;;/q2*-3;3*+2
Inchi Key: BIKXLKXABVUSMH-UHFFFAOYSA-N
Cas No: 1332-07-6

Functional Group

Drug Likeness

Name Value
Lipinski Violations 0
Ghose Violations 0
Veber Violations 0
Egan Violations 0
Muegge Violations 1

Cross References

PubChem: 167155
OdoRactor: View
TGSC: View

Physicochemical properties

Name Value
Molecular Weight (g/mol) 313.76
Mass (g/mol) 309.776
Molar Refractivity 15.63
Net Charge
HBD 4
HBA 5
Rt Bonds 0
Rings
TPSA 138.36
Hetero Atoms
Heavy Atoms 11
Aromatic Heavy Atoms 0
Melting Point (°C) 980
Boiling Point (°C@760.00mm Hg)
Vapor Pressure (mmHg@25.00 °C)
Vapor Density (Air =1)
Fraction Csp3 0.33
LogP
iLOGP 0.00
XLOGP3 -2.91
WLOGP 0.10
MLOGP -4.20
ESOL Log S 0.61
ESOL Solubility (mg/ml) 848
ESOL Solubility (mol/l) 4.05
ESOL Class: esol_class Highly soluble
Ali Log S 1.34
Ali Solubility (mg/ml) 4610
Ali Solubility (mol/l) 22
Ali Class Highly soluble
Silicos-IT LogSw -0.69
Silicos-IT Solubility (mg/ml) 43
Silicos-IT Solubility (mol/l) 0.21
Silicos-IT Class Soluble

Pharmacokinetic profile

Name Value
GI Absorption High
BBB Permeable 0
PgP Substrate 0
Log Kp (cm/s) -9.64
Bioavailability Score 0.55
Caco2 1
Human Intestinal Absorption 1
Plasm Protein Binding 0.088
CYP1A2 Inhibitor 0
CYP2C19 Inhibitor 0
CYP2C9 Inhibitor 0
CYP2D6 inhibitor 0
CYP3A4 inhibitor 0
Ames mutagenesis 0
Acute Oral Toxicity 3.181
Carcinogenicity (Binary) 1
Carcinogenicity (Trinary) Non-required
Eye Irritation 1
Hepatotoxicity 0
Androgen Receptor Binding 0
Aromatase Binding 0
Estrogen Receptor Binding 0
Glucocorticoid Receptor Binding 0
Thyroid Receptor Binding 0
BRCP inhibitor 0
BSEP inhibitor 0
OATP1B1 inhibitor 1
OATP1B3 inhibitor 1
OATP2B1 inhibitor 0
OCT1 inhibitor 0
OCT2 inhibitor 0