UCSF

ZINC06161070

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Substance Information

In ZINC since Heavy atoms Benign functionality
March 9th, 2006 28 No

Popular Name: 4-[(4-fluorophenyl)-hydroxy-methylene]-1-(5-methyl-1,3,4-thiadiazol-2-yl)-5-phenyl-pyrrolidine-2,3-d 4-[(4-fluorophenyl)-hydroxy-meth…

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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) 2.67 9.1 -51.87 0 6 -1 86 394.407 4 ↓
Mid Mid (pH 6-8) 2.09 0.89 -11.21 0 6 0 80 395.415 4 ↓
Lo Low (pH 4.5-6) 2.67 8.28 -14.65 1 6 0 83 395.415 4 ↓

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