UCSF

ZINC37718721

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 29th, 2009 20 No

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

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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) 2.95 9.77 -10.11 0 3 0 31 285.778 5 ↓
Mid Mid (pH 6-8) 2.95 10.19 -34.25 1 3 1 32 286.786 5 ↓
Lo Low (pH 4.5-6) 2.95 10.66 -84.63 2 3 2 33 287.794 5 ↓

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

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