UCSF

ZINC32600326

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Substance Information

In ZINC since Heavy atoms Benign functionality
May 5th, 2009 11 Yes

Popular Name: 1H-BENZOTRIAZOLE-6-METHANAMINE 1H-BENZOTRIAZOLE-6-METHANAMINE

Find On: PubMed — Wikipedia — Google

CAS Numbers: 1186663-54-6 , 496841-88-4

Other Names:

MFCD18071016

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.45 -0.31 -57.99 4 4 1 69 149.177 1 ↓
Hi High (pH 8-9.5) 0.45 -0.7 -7.03 3 4 0 68 148.169 1 ↓
Hi High (pH 8-9.5) 0.45 -0.44 -68.22 3 4 0 68 148.169 1 ↓
Mid Mid (pH 6-8) 0.45 -0.45 -67.74 3 4 0 68 148.169 1 ↓
Mid Mid (pH 6-8) 0.45 -0.2 -53.39 4 4 1 69 149.177 1 ↓

Vendor Notes

Note Type Comments Provided By
Purity 97% Fluorochem
PUBCHEM_PATENT_ID WO2000026211A1 IBM Patent Data

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Analogs ( Draw Identity 99% 90% 80% 70% )