UCSF

ZINC52828316

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2010 22 Yes

Popular Name: 6-[[hexyl(2-hydroxyethyl)amino]methyl]-1-methyl-5H-pyrazolo[3,4-d]pyrimidin-4-one 6-[[hexyl(2-hydroxyethyl)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) 1.72 2.79 -46.24 2 7 0 91 307.398 9 ↓
Mid Mid (pH 6-8) 1.26 3.5 -10.62 2 7 0 87 307.398 9 ↓
Mid Mid (pH 6-8) 1.26 5.38 -53.25 3 7 1 88 308.406 9 ↓

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

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