UCSF

ZINC69976177

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 1st, 2011 24 Yes

Popular Name: (6R)-2-methyl-N-[[1-methyl-3-(4-pyridyl)pyrazol-4-yl]methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5- (6R)-2-methyl-N-[[1-methyl-3-(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) -0.10 6.69 -59.06 2 7 1 78 324.412 4 ↓
Hi High (pH 8-9.5) -0.10 6.29 -16.29 1 7 0 73 323.404 4 ↓
Lo Low (pH 4.5-6) -0.10 7.15 -115.62 3 7 2 79 325.42 4 ↓

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

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