UCSF

ZINC19883354

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 12th, 2008 34 No

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

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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) 2.06 6.38 -54.95 0 8 -1 91 469.489 8 ↓
Mid Mid (pH 6-8) 2.06 8.73 -71.14 1 8 0 93 470.497 8 ↓
Lo Low (pH 4.5-6) 2.06 7.91 -58.89 2 8 1 90 471.505 8 ↓

Activity (Go SEA)

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