UCSF

ZINC20188481

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2008 31 No

Popular Name: (5S)-4-(4-chlorobenzoyl)-1-(2-diethylaminoethyl)-3-hydroxy-5-(3-methoxyphenyl)-5H-pyrrol-2-one (5S)-4-(4-chlorobenzoyl)-1-(2-di…

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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) 3.87 11.22 -66.48 1 6 0 74 442.943 9 ↓
Hi High (pH 8-9.5) 3.87 9.01 -54.24 0 6 -1 73 441.935 9 ↓
Lo Low (pH 4.5-6) 3.87 10.39 -49.68 2 6 1 71 443.951 9 ↓

Activity (Go SEA)

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