UCSF

ZINC13729070

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Substance Information

In ZINC since Heavy atoms Benign functionality
June 23rd, 2008 32 No

Popular Name: (5S)-4-(2,4-dimethoxybenzoyl)-1-(2-dimethylaminoethyl)-3-hydroxy-5-(4-methoxyphenyl)-5H-pyrrol-2-one (5S)-4-(2,4-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) 2.51 9.14 -81.86 1 8 0 93 440.496 9 ↓
Hi High (pH 8-9.5) 2.51 6.62 -64.29 0 8 -1 91 439.488 9 ↓
Mid Mid (pH 6-8) 2.95 7.76 -62.77 2 8 1 90 441.504 8 ↓
Mid Mid (pH 6-8) 1.92 8.94 -67.54 1 8 1 87 441.504 9 ↓

Activity (Go SEA)

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