UCSF

ZINC08904697

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 1st, 2007 31 No

Popular Name: 4-[(4-ethoxyphenyl)-hydroxy-methylene]-5-(2-fluorophenyl)-1-(5-methyl-1,3,4-thiadiazol-2-yl)-pyrroli 4-[(4-ethoxyphenyl)-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) 3.05 9.32 -54.64 0 7 -1 95 438.46 6 ↓
Mid Mid (pH 6-8) 2.47 9.6 -12.95 0 7 0 89 439.468 6 ↓
Mid Mid (pH 6-8) 3.50 9.06 -11.83 1 7 0 93 439.468 5 ↓

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