UCSF

ZINC52863918

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Substance Information

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

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

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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) 3.07 6.99 -43.83 1 6 0 71 317.437 6 ↓
Hi High (pH 8-9.5) 3.07 5.25 -44.1 0 6 -1 70 316.429 6 ↓
Mid Mid (pH 6-8) 2.61 9.59 -54.48 2 6 1 68 318.445 6 ↓

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

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