UCSF

ZINC20135245

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2008 32 No

Popular Name: (5R)-4-(4-allyloxybenzoyl)-5-(3,4-dichlorophenyl)-1-(2-dimethylaminoethyl)-3-hydroxy-5H-pyrrol-2-one (5R)-4-(4-allyloxybenzoyl)-5-(3,…

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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) 4.39 11.28 -71.16 1 6 0 74 475.372 9 ↓
Hi High (pH 8-9.5) 4.39 8.75 -56.67 0 6 -1 73 474.364 9 ↓
Lo Low (pH 4.5-6) 4.39 10.47 -53.9 2 6 1 71 476.38 9 ↓

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