UCSF

ZINC12575306

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Substance Information

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

Popular Name: (5S)-5-(2,3-dimethoxyphenyl)-1-(2-dimethylaminoethyl)-4-(4-ethoxybenzoyl)-3-hydroxy-5H-pyrrol-2-one (5S)-5-(2,3-dimethoxyphenyl)-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) 2.66 9.61 -78.11 1 8 0 93 454.523 10 ↓
Hi High (pH 8-9.5) 2.66 7.09 -60.05 0 8 -1 91 453.515 10 ↓
Mid Mid (pH 6-8) 3.11 8.46 -59.23 2 8 1 90 455.531 9 ↓

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