UCSF

ZINC20229895

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2008 33 No

Popular Name: (5S)-4-(3,4-dimethoxybenzoyl)-1-(2-dimethylaminoethyl)-3-hydroxy-5-(3-nitrophenyl)-5H-pyrrol-2-one (5S)-4-(3,4-dimethoxybenzoyl)-1-…

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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) 1.99 9.75 -74.4 1 10 0 129 455.467 9 ↓
Hi High (pH 8-9.5) 1.99 7.22 -54.17 0 10 -1 128 454.459 9 ↓
Lo Low (pH 4.5-6) 1.99 8.94 -63.27 2 10 1 126 456.475 9 ↓

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