UCSF

ZINC69893002

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 31st, 2011 22 Yes

Popular Name: (2S)-1-(4-methyl-1-piperidyl)-3-[[(6S)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-y (2S)-1-(4-methyl-1-piperidyl)-3-…

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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) 0.27 5.71 -123.7 4 6 2 72 309.458 5 ↓
Mid Mid (pH 6-8) 0.27 6.25 -53.8 3 6 1 75 308.45 5 ↓
Mid Mid (pH 6-8) 0.27 3.4 -54.82 3 6 1 71 308.45 5 ↓

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

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