UCSF

ZINC16730910

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 6th, 2008 33 No

Popular Name: (5S)-4-(3,4-dimethoxybenzoyl)-1-(2-dimethylaminoethyl)-3-hydroxy-5-(4-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) 2.01 9.86 -77.07 1 10 0 129 455.467 9 ↓
Hi High (pH 8-9.5) 2.01 7.31 -55.64 0 10 -1 128 454.459 9 ↓
Mid Mid (pH 6-8) 2.46 8.72 -71.73 2 10 1 126 456.475 8 ↓
Mid Mid (pH 6-8) 1.43 9.7 -77.99 1 10 1 123 456.475 9 ↓

Activity (Go SEA)

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