UCSF

ZINC69490046

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 25th, 2011 25 Yes

Popular Name: (6S)-N-[(1-benzyl-3,5-dimethyl-pyrazol-4-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin (6S)-N-[(1-benzyl-3,5-dimethyl-p…

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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) 1.46 9.96 -57.37 2 6 1 65 337.451 5 ↓
Hi High (pH 8-9.5) 1.46 8.78 -12.14 1 6 0 61 336.443 5 ↓

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

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