UCSF

ZINC08438758

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 15th, 2006 34 No

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

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Other Names:

MFCD03764519

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) 3.04 10.22 -43.61 0 7 -1 92 457.506 8 ↓
Mid Mid (pH 6-8) 3.49 0.18 -32.68 1 7 0 88 458.514 7 ↓
Mid Mid (pH 6-8) 2.46 0.39 -26.68 0 7 0 85 458.514 8 ↓
Lo Low (pH 4.5-6) 2.46 0.5 -61.92 1 7 1 87 459.522 8 ↓
Lo Low (pH 4.5-6) 3.49 0.29 -68.02 2 7 1 90 459.522 7 ↓

Activity (Go SEA)

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