UCSF

ZINC53312724

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2010 33 Yes

Popular Name: 2-[6-bromo-2-(3-hydroxypropylamino)benzimidazol-1-yl]-1-(3,5-ditert-butyl-4-hydroxy-phenyl)ethanone 2-[6-bromo-2-(3-hydroxypropylami…

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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) 6.30 11.74 -14.44 3 6 0 87 516.48 9 ↓
Mid Mid (pH 6-8) 6.30 12.17 -36.58 4 6 1 89 517.488 9 ↓

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

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