UCSF

ZINC59819585

Draw Identity 99% 90% 80% 70%

Substance Information

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

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

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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) -0.45 5.32 -64.76 1 6 1 59 256.289 2 ↓
Hi High (pH 8-9.5) -0.45 4.28 -19.54 0 6 0 57 255.281 2 ↓
Mid Mid (pH 6-8) -0.45 5.78 -127.92 2 6 2 60 257.297 2 ↓

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

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