UCSF

ZINC40054601

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Substance Information

In ZINC since Heavy atoms Benign functionality
March 22nd, 2010 32 No

Popular Name: (2S)-3-(3-allyloxybenzoyl)-2-(4-dimethylaminophenyl)-4-hydroxy-1-(3-hydroxypropyl)-2H-pyrrol-5-one (2S)-3-(3-allyloxybenzoyl)-2-(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) 2.80 7.13 -65.08 1 7 -1 93 435.5 10 ↓
Lo Low (pH 4.5-6) 2.80 6.38 -17.02 2 7 0 90 436.508 10 ↓

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