UCSF

ZINC34753117

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 24th, 2009 28 Yes

Popular Name: 1-cyclopentyl-3-ethyl-6-[[4-(trifluoromethyl)phenyl]methyl]-2H-pyrazolo[3,4-d]pyrimidin-4-one 1-cyclopentyl-3-ethyl-6-[[4-(tri…

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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) 4.69 11.37 -13.88 1 5 0 64 390.409 5 ↓
Hi High (pH 8-9.5) 5.15 9 -44.32 0 5 -1 67 389.401 5 ↓

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US5656629; US5977118 IBM Patent Data

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Rings

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

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