UCSF

ZINC11914611

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Substance Information

In ZINC since Heavy atoms Benign functionality
March 15th, 2008 31 No

Popular Name: (5S)-3-hydroxy-1-(2-hydroxyethyl)-4-(4-isobutoxybenzoyl)-5-(4-methoxyphenyl)-5H-pyrrol-2-one (5S)-3-hydroxy-1-(2-hydroxyethyl…

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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) 2.98 -1.63 -14.15 2 7 0 96 425.481 9 ↓
Mid Mid (pH 6-8) 2.40 -1.73 -20.16 1 7 0 93 425.481 9 ↓

Activity (Go SEA)

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