UCSF

ZINC20280640

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2008 35 No

Popular Name: (5S)-5-(3,4-diethoxyphenyl)-1-(2-diethylaminoethyl)-4-(4-fluorobenzoyl)-3-hydroxy-5H-pyrrol-2-one (5S)-5-(3,4-diethoxyphenyl)-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 11.73 -67.49 1 7 0 83 484.568 12 ↓
Hi High (pH 8-9.5) 3.72 9.44 -54.96 0 7 -1 82 483.56 12 ↓
Lo Low (pH 4.5-6) 3.72 10.92 -51.78 2 7 1 81 485.576 12 ↓

Activity (Go SEA)

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