UCSF

ZINC54822229

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
December 8th, 2010 20 Yes

Popular Name: 5-[(1S)-1-[(2-methyl-1H-imidazol-4-yl)methylamino]ethyl]-1,3-dihydrobenzimidazol-2-one 5-[(1S)-1-[(2-methyl-1H-imidazol…

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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) 0.88 2.44 -39.47 5 6 1 91 272.332 4 ↓
Hi High (pH 8-9.5) 0.88 2.02 -13.56 4 6 0 89 271.324 4 ↓
Mid Mid (pH 6-8) 0.88 3.56 -121.35 6 6 2 95 273.34 4 ↓
Mid Mid (pH 6-8) 0.88 3.13 -50.88 5 6 1 94 272.332 4 ↓

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Rings

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

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