UCSF

ZINC69661102

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 28th, 2011 25 Yes

Popular Name: 2-[[[(6S)-2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]methyl]-7-methyl-pyrid 2-[[[(6S)-2-ethyl-5,6,7,8-tetrah…

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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 8.36 -60.39 2 7 1 82 339.423 4 ↓
Mid Mid (pH 6-8) 1.46 7.2 -17.09 1 7 0 77 338.415 4 ↓
Mid Mid (pH 6-8) 1.46 7.65 -44.86 2 7 1 78 339.423 4 ↓
Lo Low (pH 4.5-6) 1.46 8.1 -85.35 3 7 2 80 340.431 4 ↓

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

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