UCSF

ZINC69657860

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 28th, 2011 26 Yes

Popular Name: N-[3-(benzimidazol-1-yl)propyl]-4-oxo-1H-cinnoline-3-carboxamide N-[3-(benzimidazol-1-yl)propyl]-…

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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) 2.53 7.83 -52.83 1 7 -1 96 346.37 5 ↓
Mid Mid (pH 6-8) 1.23 8.84 -25.1 2 7 0 93 347.378 5 ↓
Lo Low (pH 4.5-6) 1.23 9.33 -50.94 3 7 1 94 348.386 5 ↓

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

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