UCSF

ZINC12416274

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Substance Information

In ZINC since Heavy atoms Benign functionality
May 14th, 2008 30 No

Popular Name: (5S)-5-(3,4-dichlorophenyl)-1-(2-dimethylaminoethyl)-3-hydroxy-4-(3-methoxybenzoyl)-5H-pyrrol-2-one (5S)-5-(3,4-dichlorophenyl)-1-(2…

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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) 3.72 10.14 -78.65 1 6 0 74 449.334 7 ↓
Hi High (pH 8-9.5) 3.72 7.6 -59.83 0 6 -1 73 448.326 7 ↓
Mid Mid (pH 6-8) 4.17 0.33 -65.82 2 6 1 71 450.342 6 ↓

Activity (Go SEA)

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