UCSF

ZINC20029461

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Substance Information

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

Popular Name: (5R)-4-(4-chlorobenzoyl)-5-(2,3-dimethoxyphenyl)-1-(2-dimethylaminoethyl)-3-hydroxy-5H-pyrrol-2-one (5R)-4-(4-chlorobenzoyl)-5-(2,3-…

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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) 2.91 9.42 -70.2 1 7 0 83 444.915 8 ↓
Hi High (pH 8-9.5) 2.91 6.87 -56.79 0 7 -1 82 443.907 8 ↓

Activity (Go SEA)

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