UCSF

ZINC09210873

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 14th, 2007 36 No

Popular Name: 3-hydroxy-5-(4-hydroxyphenyl)-1-(3-methoxypropyl)-4-[4-(1-piperidylsulfonyl)benzoyl]-5H-pyrrol-2-one 3-hydroxy-5-(4-hydroxyphenyl)-1-…

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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) 2.38 5.39 -59.96 1 9 -1 127 513.592 9 ↓
Lo Low (pH 4.5-6) 2.38 4.64 -18.41 2 9 0 124 514.6 9 ↓

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