UCSF

ZINC59819578

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
March 11th, 2011 19 No

Popular Name: 4-[2-methyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]-1-oxido-pyridin-1-ium 4-[2-methyl-5-(4-pyridyl)-1,2,4-…

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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) -0.08 5.97 -21.08 0 6 0 69 253.265 2 ↓
Lo Low (pH 4.5-6) -0.08 6.43 -53.36 1 6 1 70 254.273 2 ↓

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

No pre-computed analogs available. Try a structural similarity search.