UCSF

ZINC09580923

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 3rd, 2007 35 No

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

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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) 2.85 8.33 -42.78 0 8 -1 107 497.593 9 ↓
Mid Mid (pH 6-8) 2.27 -5.3 -26.04 0 8 0 101 498.601 9 ↓

Activity (Go SEA)

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