UCSF

ZINC41070376

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Substance Information

In ZINC since Heavy atoms Benign functionality
April 16th, 2010 24 Yes

Popular Name: 2,3-dimethyl-N-(4-pyridylmethyl)-5-(2-thienyl)pyrazolo[4,3-d]pyrimidin-7-amine 2,3-dimethyl-N-(4-pyridylmethyl)…

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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) 2.30 7.36 -14.23 1 6 0 69 336.424 4 ↓
Lo Low (pH 4.5-6) 2.30 7.82 -45.15 2 6 1 70 337.432 4 ↓

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

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