UCSF

ZINC37335978

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 2009 20 No

Popular Name: 5-(2-pyridyl)-4-[(3R)-quinuclidin-3-yl]-1,2,4-triazole-3-thiol 5-(2-pyridyl)-4-[(3R)-quinuclidi…

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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) 1.80 7.69 -39.55 1 5 0 48 287.392 2 ↓
Lo Low (pH 4.5-6) 1.07 7.65 -32.18 2 5 1 51 288.4 2 ↓

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

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