UCSF

ZINC08818169

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 29th, 2007 34 No

Popular Name: 5-(2,5-dimethoxyphenyl)-3-hydroxy-4-(3-methoxybenzoyl)-1-(3-pyridinylmethyl)-1,5-dihydro-2H-pyrrol-2-one 5-(2,5-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) 2.61 7.88 -68.72 0 8 -1 101 459.478 8 ↓
Mid Mid (pH 6-8) 2.61 7.95 -17.56 1 8 0 98 460.486 8 ↓
Mid Mid (pH 6-8) 2.03 8.28 -14.66 0 8 0 95 460.486 8 ↓
Lo Low (pH 4.5-6) 2.03 8.56 -44.95 1 8 1 96 461.494 8 ↓
Lo Low (pH 4.5-6) 2.61 8.23 -43.45 2 8 1 99 461.494 8 ↓

Activity (Go SEA)

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