UCSF

ZINC52853112

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2010 18 Yes

Popular Name: 1-[2-(4-pyridyl)ethyl]benzimidazol-5-amine 1-[2-(4-pyridyl)ethyl]benzimidaz…

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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) 1.06 6.61 -11.91 2 4 0 57 238.294 3 ↓
Mid Mid (pH 6-8) 1.06 7.1 -37.69 3 4 1 58 239.302 3 ↓
Lo Low (pH 4.5-6) 1.06 7.55 -85.25 4 4 2 59 240.31 3 ↓

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

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