UCSF

ZINC19882163

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 12th, 2008 29 No

Popular Name: (5S)-5-(4-chlorophenyl)-1-(2-diethylaminoethyl)-3-hydroxy-4-(pyridine-4-carbonyl)-5H-pyrrol-2-one (5S)-5-(4-chlorophenyl)-1-(2-die…

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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) 2.55 9.59 -64.77 1 6 0 78 413.905 8 ↓
Hi High (pH 8-9.5) 2.55 7.41 -53.34 0 6 -1 77 412.897 8 ↓

Activity (Go SEA)

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