UCSF

ZINC69134167

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 19th, 2011 20 Yes

Popular Name: 2-[2-[(2S,6S)-2,6-dimethylpiperazin-1-yl]ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one 2-[2-[(2S,6S)-2,6-dimethylpipera…

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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) 0.46 4.9 -46.03 2 6 1 59 276.364 3 ↓
Hi High (pH 8-9.5) 0.46 3.73 -11.37 1 6 0 55 275.356 3 ↓

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Rings

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

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