UCSF

ZINC08744245

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 26th, 2007 33 No

Popular Name: 4-[hydroxy-(4-isopropoxyphenyl)-methylene]-5-(3-methoxyphenyl)-1-(5-methyl-1,3,4-thiadiazol-2-yl)-py 4-[hydroxy-(4-isopropoxyphenyl)-…

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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) 3.33 9.27 -55.42 0 8 -1 105 464.523 7 ↓
Mid Mid (pH 6-8) 3.78 8.88 -18.88 1 8 0 102 465.531 6 ↓
Mid Mid (pH 6-8) 2.75 9.54 -13.5 0 8 0 99 465.531 7 ↓

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