UCSF

ZINC05918668

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Substance Information

In ZINC since Heavy atoms Benign functionality
February 18th, 2006 33 No

Popular Name: 4-(4-butoxybenzoyl)-5-(4-fluorophenyl)-3-hydroxy-1-(5-methyl-1,3,4-thiadiazol-2-yl)-1,5-dihydro-2H-pyrrol-2-one 4-(4-butoxybenzoyl)-5-(4-fluorop…

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Other Names:

MFCD03861381

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) 4.16 10.95 -51.53 0 7 -1 95 466.514 8 ↓
Mid Mid (pH 6-8) 4.61 0.66 -25.99 1 7 0 92 467.522 7 ↓
Mid Mid (pH 6-8) 3.58 0.96 -18.34 0 7 0 89 467.522 8 ↓

Activity (Go SEA)

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