UCSF

ZINC69491738

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Substance Information

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

Popular Name: (6S)-N-[[2-(3-pyridylmethoxy)phenyl]methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine (6S)-N-[[2-(3-pyridylmethoxy)phe…

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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) 1.41 8.95 -52.58 2 6 1 69 336.419 6 ↓
Hi High (pH 8-9.5) 1.41 7.75 -11.1 1 6 0 65 335.411 6 ↓
Lo Low (pH 4.5-6) 1.41 9.42 -107.39 3 6 2 71 337.427 6 ↓

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

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