UCSF

ZINC17147335

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 16th, 2008 33 No

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

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Other Names:

MFCD03416955

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) 2.89 7.73 -59.53 0 8 -1 97 454.499 10 ↓
Mid Mid (pH 6-8) 3.33 7.6 -12.88 1 8 0 95 455.507 9 ↓
Mid Mid (pH 6-8) 2.30 7.98 -14.89 0 8 0 91 455.507 10 ↓

Activity (Go SEA)

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