UCSF

ZINC65568830

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 2011 19 Yes

Popular Name: 1-methyl-6-(1,4-oxazepan-4-ylmethyl)-5H-pyrazolo[3,4-d]pyrimidin-4-one 1-methyl-6-(1,4-oxazepan-4-ylmet…

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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) -0.44 2.27 -12 1 7 0 76 263.301 2 ↓
Mid Mid (pH 6-8) -0.44 4.3 -54.22 2 7 1 77 264.309 2 ↓
Mid Mid (pH 6-8) 0.02 1.94 -42.9 1 7 0 80 263.301 2 ↓

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

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