UCSF

ZINC04125960

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 9th, 2005 32 No

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

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Other Names:

MFCD03016764

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) 3.37 10.29 -37.76 0 7 -1 95 450.471 7 ↓
Mid Mid (pH 6-8) 3.82 0.92 -26.53 1 7 0 92 451.479 6 ↓
Mid Mid (pH 6-8) 2.79 1.13 -16.34 0 7 0 89 451.479 7 ↓

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