UCSF

ZINC22802041

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Substance Information

In ZINC since Heavy atoms Benign functionality
December 20th, 2008 34 No

Popular Name: (5R)-5-(4-fluorophenyl)-3-hydroxy-4-(4-isopropoxybenzoyl)-1-(2-piperazin-1-ylethyl)-5H-pyrrol-2-one (5R)-5-(4-fluorophenyl)-3-hydrox…

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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) 2.66 7.53 -82.22 2 7 0 90 467.541 8 ↓
Lo Low (pH 4.5-6) 2.66 6.78 -51.43 3 7 1 87 468.549 8 ↓

Activity (Go SEA)

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