UCSF

ZINC08584709

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Substance Information

In ZINC since Heavy atoms Benign functionality
June 10th, 2007 13 Yes

Popular Name: 3-(1H-Benzimidazol-1-yl)propanenitrile 3-(1H-Benzimidazol-1-yl)propanen…

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CAS Numbers: , 4414-84-0

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) 0.96 7.24 -12.53 0 3 0 42 171.203 2 ↓
Lo Low (pH 4.5-6) 0.96 7.72 -42.24 1 3 1 43 172.211 2 ↓

Vendor Notes

Note Type Comments Provided By
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95+% Fluorochem

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