UCSF

ZINC01464719

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 19th, 2004 30 No

Popular Name: (5S)-5-(2-fluorophenyl)-2-keto-1-(5-methyl-1,3,4-thiadiazol-2-yl)-4-p-anisoyl-3-pyrrolin-3-olate (5S)-5-(2-fluorophenyl)-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) 2.68 9.31 -56.08 0 7 -1 95 424.433 5 ↓
Mid Mid (pH 6-8) 3.12 0.47 -25.09 1 7 0 92 425.441 4 ↓
Mid Mid (pH 6-8) 2.10 0.68 -14.69 0 7 0 89 425.441 5 ↓

Activity (Go SEA)

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