UCSF

ZINC54417733

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
December 3rd, 2010 20 Yes

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

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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) 0.10 3.65 -14.47 1 7 0 80 273.296 4 ↓
Mid Mid (pH 6-8) 0.56 3.13 -48.92 1 7 0 84 273.296 4 ↓
Mid Mid (pH 6-8) 0.10 5.98 -58.21 2 7 1 81 274.304 4 ↓

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

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