UCSF

ZINC00637516

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 25th, 2004 30 No

Popular Name: (5R)-5-(3,4-dichlorophenyl)-2-keto-1-(5-methyl-1,3,4-thiadiazol-2-yl)-4-p-toluoyl-3-pyrrolin-3-olate (5R)-5-(3,4-dichlorophenyl)-2-ke…

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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) 4.24 11.02 -37.83 0 6 -1 86 459.334 4 ↓
Mid Mid (pH 6-8) 4.68 9.65 -26.15 1 6 0 83 460.342 3 ↓
Mid Mid (pH 6-8) 3.66 10.67 -17.23 0 6 0 80 460.342 4 ↓

Activity (Go SEA)

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