UCSF

ZINC52826743

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2010 24 Yes

Popular Name: 1-methyl-6-[[methyl-[2-(3-methylphenoxy)ethyl]amino]methyl]-5H-pyrazolo[3,4-d]pyrimidin-4-one 1-methyl-6-[[methyl-[2-(3-methyl…

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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) 1.55 5.87 -14.56 1 7 0 76 327.388 6 ↓
Lo Low (pH 4.5-6) 1.55 8.23 -58.86 2 7 1 77 328.396 6 ↓

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

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