UCSF

ZINC20130124

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2008 34 No

Popular Name: 3-[(2S)-4-hydroxy-2-(2-methoxyphenyl)-5-oxo-3-[(E)-3-phenylprop-2-enoyl]-2H-pyrrol-1-yl]benzoic 3-[(2S)-4-hydroxy-2-(2-methoxyph…

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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) 4.34 13.83 -112.42 0 7 -2 110 453.45 6 ↓
Ref Reference (pH 7) 4.34 13.38 -121.13 0 7 -2 110 453.45 7 ↓
Lo Low (pH 4.5-6) 4.34 11.66 -62.18 1 7 -1 107 454.458 7 ↓

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

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