UCSF

ZINC20191382

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2008 34 No

Popular Name: (5R)-4-(4-allyloxybenzoyl)-5-(2,3-dimethoxyphenyl)-1-(2-dimethylaminoethyl)-3-hydroxy-5H-pyrrol-2-on (5R)-4-(4-allyloxybenzoyl)-5-(2,…

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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) 2.93 9.75 -74 1 8 0 93 466.534 11 ↓
Hi High (pH 8-9.5) 2.93 7.2 -60.55 0 8 -1 91 465.526 11 ↓

Activity (Go SEA)

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