UCSF

ZINC52863910

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2010 21 Yes

Popular Name: 1-methyl-6-[[methyl-[[(2R)-tetrahydropyran-2-yl]methyl]amino]methyl]-5H-pyrazolo[3,4-d]pyrimidin-4-o 1-methyl-6-[[methyl-[[(2R)-tetra…

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Download: MOL2 SDF SMILES Flexibase

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) 0.32 3.71 -12.46 1 7 0 76 291.355 4 ↓
Mid Mid (pH 6-8) 0.32 6.05 -53.57 2 7 1 77 292.363 4 ↓
Mid Mid (pH 6-8) 0.78 3.45 -44.16 1 7 0 80 291.355 4 ↓

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

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