UCSF

ZINC54417958

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Substance Information

In ZINC since Heavy atoms Benign functionality
December 3rd, 2010 21 Yes

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

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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) 2.31 4.8 -43.07 1 6 0 71 289.383 3 ↓
Mid Mid (pH 6-8) 1.85 5.24 -10.53 1 6 0 67 289.383 3 ↓
Mid Mid (pH 6-8) 1.85 7.45 -53.99 2 6 1 68 290.391 3 ↓

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

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