UCSF

ZINC53517442

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2010 27 Yes

Popular Name: 1-(1H-benzimidazol-2-yl)-3-[(2S)-2-(4-methyl-1-piperidyl)-2-(2-thienyl)ethyl]urea 1-(1H-benzimidazol-2-yl)-3-[(2S)…

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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) 4.09 10.49 -35.05 4 6 1 77 384.529 4 ↓
Hi High (pH 8-9.5) 4.09 8.47 -9.26 3 6 0 76 383.521 4 ↓

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

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