UCSF

ZINC13671352

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
June 23rd, 2008 17 Yes

Popular Name: 2-Benzyl-2H-pyrazolo[3,4-d]pyrimidin-4-amine 2-Benzyl-2H-pyrazolo[3,4-d]pyrim…

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CAS Number: 862848-47-3

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) 1.29 6.38 -17.95 2 5 0 70 225.255 2 ↓
Lo Low (pH 4.5-6) 1.29 2.29 -40.37 3 5 1 71 226.263 2 ↓

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

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