UCSF

ZINC53523227

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2010 20 Yes

Popular Name: 2-[2-[[(1S,3S)-3-methylcyclohexyl]amino]ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one 2-[2-[[(1S,3S)-3-methylcyclohexy…

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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) 2.17 8.26 -42.46 2 5 1 56 275.376 4 ↓

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Rings

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

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