UCSF

ZINC34753116

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 24th, 2009 33 Yes

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

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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) 3.73 9.23 -14.95 1 8 0 85 451.571 8 ↓
Hi High (pH 8-9.5) 4.18 6.87 -49.89 0 8 -1 88 450.563 8 ↓
Mid Mid (pH 6-8) 3.73 11.52 -49.35 2 8 1 86 452.579 8 ↓

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID 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.