UCSF

ZINC13127433

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
May 29th, 2008 19 No

Popular Name: (6E)-6-[(benzimidazol-1-ylamino)methylene]-4-bromo-cyclohexa-2,4-dien-1-one (6E)-6-[(benzimidazol-1-ylamino)…

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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) 2.93 8.97 -14.96 1 4 0 47 316.158 2 ↓
Mid Mid (pH 6-8) 2.93 9.21 -47.32 2 4 1 48 317.166 2 ↓

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

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