UCSF

ZINC20229220

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2008 31 No

Popular Name: (5S)-4-(4-allyloxybenzoyl)-5-(4-chlorophenyl)-1-(2-dimethylaminoethyl)-3-hydroxy-5H-pyrrol-2-one (5S)-4-(4-allyloxybenzoyl)-5-(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) 3.79 10.76 -70.76 1 6 0 74 440.927 9 ↓
Hi High (pH 8-9.5) 3.79 8.23 -56.01 0 6 -1 73 439.919 9 ↓
Lo Low (pH 4.5-6) 3.79 9.95 -52.37 2 6 1 71 441.935 9 ↓

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