UCSF

ZINC13569749

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Substance Information

In ZINC since Heavy atoms Benign functionality
June 21st, 2008 30 No

Popular Name: (4E,5S)-4-[(4-fluorophenyl)-hydroxy-methylene]-5-(4-hydroxy-3-methoxy-phenyl)-1-(1,3,4-thiadiazol-2- (4E,5S)-4-[(4-fluorophenyl)-hydr…

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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) 2.29 5.53 -54.17 1 8 -1 116 426.405 5 ↓
Mid Mid (pH 6-8) 2.74 5.05 -20.15 2 8 0 113 427.413 4 ↓
Mid Mid (pH 6-8) 1.71 5.74 -14.02 1 8 0 110 427.413 5 ↓

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