UCSF

ZINC37718729

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 29th, 2009 21 No

Popular Name: 2-(2-chloroethyl)-5-methyl-1-[2-(3-pyridyl)ethyl]benzimidazole 2-(2-chloroethyl)-5-methyl-1-[2-…

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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) 3.38 10.44 -10.2 0 3 0 31 299.805 5 ↓
Mid Mid (pH 6-8) 3.38 10.87 -34.02 1 3 1 32 300.813 5 ↓
Lo Low (pH 4.5-6) 3.38 11.34 -85.04 2 3 2 33 301.821 5 ↓

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

No pre-computed analogs available. Try a structural similarity search.