UCSF

ZINC02501865

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 9th, 2005 32 No

Popular Name: 5-(4-allyloxyphenyl)-4-(4-chlorobenzoyl)-3-hydroxy-1-(5-methyl-1,3,4-thiadiazol-2-yl)-5H-pyrrol-2-on 5-(4-allyloxyphenyl)-4-(4-chloro…

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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) 3.89 10.74 -37.87 0 7 -1 95 466.926 7 ↓
Mid Mid (pH 6-8) 4.33 0.01 -26.44 1 7 0 92 467.934 6 ↓
Mid Mid (pH 6-8) 3.30 0.3 -17.64 0 7 0 89 467.934 7 ↓

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