UCSF

ZINC52828254

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2010 23 Yes

Popular Name: 6-[(dipentylamino)methyl]-1-methyl-5H-pyrazolo[3,4-d]pyrimidin-4-one 6-[(dipentylamino)methyl]-1-meth…

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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) 3.79 7.55 -44.93 1 6 0 71 319.453 10 ↓
Mid Mid (pH 6-8) 3.33 7.93 -10.31 1 6 0 67 319.453 10 ↓
Mid Mid (pH 6-8) 3.33 10.14 -54.7 2 6 1 68 320.461 10 ↓

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Rings

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

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