UCSF

ZINC02501862

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Substance Information

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

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

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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) 3.66 10.87 -42.66 0 7 -1 95 446.508 7 ↓
Mid Mid (pH 6-8) 4.10 0.5 -25.6 1 7 0 92 447.516 6 ↓
Mid Mid (pH 6-8) 3.07 0.72 -16.31 0 7 0 89 447.516 7 ↓

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