UCSF

ZINC09176092

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 12th, 2007 36 No

Popular Name: 5-(2,3-dimethoxyphenyl)-3-hydroxy-4-(4-methoxy-3-methylbenzoyl)-1-[2-(4-morpholinyl)ethyl]-1,5-dihydro-2H-pyrrol-2-one 5-(2,3-dimethoxyphenyl)-3-hydrox…

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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 5.75 -59.8 0 9 -1 101 495.552 9 ↓
Mid Mid (pH 6-8) 2.95 9.05 -54.21 2 9 1 99 497.568 8 ↓
Mid Mid (pH 6-8) 1.92 1.16 -54.93 1 9 1 95 497.568 9 ↓
Mid Mid (pH 6-8) 2.51 8.09 -73.19 1 9 0 102 496.56 9 ↓

Activity (Go SEA)

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