UCSF

ZINC37718667

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 29th, 2009 19 Yes

Popular Name: 5-chloro-1-[2-(3-pyridyl)ethyl]benzimidazol-2-amine 5-chloro-1-[2-(3-pyridyl)ethyl]b…

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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) 2.52 8.72 -11.16 2 4 0 57 272.739 3 ↓
Mid Mid (pH 6-8) 2.52 9.19 -35.91 3 4 1 58 273.747 3 ↓
Lo Low (pH 4.5-6) 2.52 9.66 -87.27 4 4 2 59 274.755 3 ↓

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Rings

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

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