UCSF

ZINC27662403

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Substance Information

In ZINC since Heavy atoms Benign functionality
February 19th, 2009 34 No

Popular Name: (5S)-1-benzyl-5-(3-bromo-4-hydroxy-5-methoxy-phenyl)-4-(2,5-dimethylbenzoyl)-3-hydroxy-5H-pyrrol-2-o (5S)-1-benzyl-5-(3-bromo-4-hydro…

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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) 4.91 10.84 -46.31 1 6 -1 90 521.387 6 ↓
Hi High (pH 8-9.5) 4.91 11.61 -104.8 0 6 -2 93 520.379 6 ↓
Lo Low (pH 4.5-6) 4.91 10.03 -13.48 2 6 0 87 522.395 6 ↓

Activity (Go SEA)

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