UCSF

ZINC08914797

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 1st, 2007 30 No

Popular Name: 4-[(4-fluorophenyl)-hydroxy-methylene]-5-(4-methoxyphenyl)-1-(5-methyl-1,3,4-thiadiazol-2-yl)-pyrrol 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) 2.73 8.44 -51.46 0 7 -1 95 424.433 5 ↓
Mid Mid (pH 6-8) 2.14 0.86 -13.16 0 7 0 89 425.441 5 ↓
Lo Low (pH 4.5-6) 2.73 7.62 -15.76 1 7 0 93 425.441 5 ↓

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