UCSF

ZINC65508720

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 18th, 2011 23 No

Popular Name: 3-chloro-5-[(3R)-5-isopropyl-2-(3-methyl-4-pyridyl)-3,4-dihydro-1,2,4-triazol-3-yl]-1H-pyridin-2-one 3-chloro-5-[(3R)-5-isopropyl-2-(…

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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) 2.45 6.08 -16.98 2 6 0 73 331.807 3 ↓
Lo Low (pH 4.5-6) 2.45 6.55 -47.22 3 6 1 75 332.815 3 ↓

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

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