UCSF

ZINC49539757

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 5th, 2010 30 No

Popular Name: 1-[(3S,5R)-3,5-dimethyl-1-piperidyl]-2-[[4-imino-3-methyl-5-(m-tolyl)-1H-pyrazolo[3,4-d]pyrimidin-6- 1-[(3S,5R)-3,5-dimethyl-1-piperi…

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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) 0.19 11.75 -31.83 3 7 1 92 425.582 4 ↓
Mid Mid (pH 6-8) 2.46 11.75 -13.51 2 7 0 91 424.574 4 ↓

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

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