UCSF

ZINC08384140

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 12th, 2006 34 No

Popular Name: 5-(3,4-diethoxyphenyl)-4-(4-fluorobenzoyl)-3-hydroxy-1-(5-methyl-1,3,4-thiadiazol-2-yl)-1,5-dihydro-2H-pyrrol-2-one 5-(3,4-diethoxyphenyl)-4-(4-fluo…

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Other Names:

MFCD04148033

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) 3.07 10.19 -52.4 0 8 -1 105 482.513 8 ↓
Mid Mid (pH 6-8) 3.51 0.8 -28.06 1 8 0 101 483.521 7 ↓
Mid Mid (pH 6-8) 2.48 1.02 -18 0 8 0 98 483.521 8 ↓

Activity (Go SEA)

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