UCSF

ZINC65534795

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 19th, 2011 16 No

Popular Name: 2-[(4-bromo-3-chloroanilino)carbonyl]benzoic acid 2-[(4-bromo-3-chloroanilino)carb…

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Other Names:

MFCD00566973

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) -1.56 -2.96 -45.71 3 6 1 88 246.312 3 ↓
Mid Mid (pH 6-8) -1.56 -4.04 -16.71 2 6 0 86 245.304 3 ↓
Lo Low (pH 4.5-6) -1.56 -0.8 -129.81 4 6 2 89 247.32 3 ↓

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

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