UCSF

ZINC53298023

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2010 21 Yes

Popular Name: 1-isopropyl-2-[(1S)-1-methyl-2-(2-pyridyl)ethyl]benzimidazole 1-isopropyl-2-[(1S)-1-methyl-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) 3.48 9.79 -8.34 0 3 0 31 279.387 4 ↓
Mid Mid (pH 6-8) 3.48 10.35 -25.34 1 3 1 32 280.395 4 ↓
Lo Low (pH 4.5-6) 3.48 10.79 -83.48 2 3 2 33 281.403 4 ↓

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

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