UCSF

ZINC20394558

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 2008 37 No

Popular Name: (5S)-4-(4-benzyloxybenzoyl)-1-(2-diethylaminoethyl)-5-(4-fluorophenyl)-3-hydroxy-5H-pyrrol-2-one (5S)-4-(4-benzyloxybenzoyl)-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) 4.97 14.21 -68.82 1 6 0 74 502.586 11 ↓
Hi High (pH 8-9.5) 4.97 12.01 -57.53 0 6 -1 73 501.578 11 ↓
Lo Low (pH 4.5-6) 4.97 13.39 -51.73 2 6 1 71 503.594 11 ↓

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