UCSF

ZINC40175825

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Substance Information

In ZINC since Heavy atoms Benign functionality
April 2nd, 2010 18 Yes

Popular Name: 4-[5-(4-Fluorophenyl)-1H-1,2,4-triazol-3-yl]pyridine 4-[5-(4-Fluorophenyl)-1H-1,2,4-t…

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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) 2.50 6.49 -8.15 1 4 0 54 240.241 2 ↓
Hi High (pH 8-9.5) 2.50 6.37 -38.64 0 4 -1 53 239.233 2 ↓

Activity (Go SEA)

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