UCSF

ZINC01464663

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 19th, 2004 29 No

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

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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) 3.76 10.68 -39.02 0 6 -1 86 469.34 4 ↓
Mid Mid (pH 6-8) 4.21 -0.75 -24.63 1 6 0 83 470.348 3 ↓
Mid Mid (pH 6-8) 3.18 -0.46 -17.22 0 6 0 80 470.348 4 ↓

Activity (Go SEA)

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