UCSF

ZINC17162694

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 16th, 2008 31 No

Popular Name: 5-(3,4-dimethoxyphenyl)-3-hydroxy-1-(3-methoxypropyl)-4-(4-methylbenzoyl)-1,5-dihydro-2H-pyrrol-2-one 5-(3,4-dimethoxyphenyl)-3-hydrox…

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Other Names:

MFCD03017545

Download: MOL2 SDF SMILES Flexibase

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) 2.73 7.84 -62.79 0 7 -1 88 424.473 9 ↓
Lo Low (pH 4.5-6) 2.73 7.01 -18.89 1 7 0 85 425.481 9 ↓

Activity (Go SEA)

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