UCSF

ZINC08905396

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Substance Information

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

Popular Name: 4-[4-(allyloxy)benzoyl]-5-(3-chlorophenyl)-3-hydroxy-1-(1,3-thiazol-2-yl)-1,5-dihydro-2H-pyrrol-2-one 4-[4-(allyloxy)benzoyl]-5-(3-chl…

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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) 4.49 10.5 -54.98 0 6 -1 83 451.911 7 ↓
Mid Mid (pH 6-8) 3.90 10.77 -10.29 0 6 0 77 452.919 7 ↓
Mid Mid (pH 6-8) 4.93 9.71 -9.48 1 6 0 80 452.919 6 ↓

Activity (Go SEA)

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