UCSF

ZINC08817647

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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 7.32 -69.73 0 8 -1 101 459.478 8 ↓
Mid Mid (pH 6-8) 2.03 0.44 -16.42 0 8 0 95 460.486 8 ↓
Lo Low (pH 4.5-6) 3.06 0.81 -45.97 2 8 1 99 461.494 7 ↓
Lo Low (pH 4.5-6) 2.03 0.55 -42.59 1 8 1 96 461.494 8 ↓
Lo Low (pH 4.5-6) 2.61 6.49 -20.35 1 8 0 98 460.486 8 ↓

Activity (Go SEA)

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