UCSF

ZINC16699800

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 5th, 2008 31 No

Popular Name: (5S)-5-(3,4-dimethoxyphenyl)-4-(4-fluorobenzoyl)-3-hydroxy-1-(3-methoxypropyl)-5H-pyrrol-2-one (5S)-5-(3,4-dimethoxyphenyl)-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) 2.44 8.33 -54.43 0 7 -1 88 428.436 9 ↓
Mid Mid (pH 6-8) 2.89 6.48 -30.24 1 7 0 85 429.444 8 ↓
Mid Mid (pH 6-8) 1.86 7.46 -23.21 0 7 0 82 429.444 9 ↓

Activity (Go SEA)

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