UCSF

ZINC54418245

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
December 3rd, 2010 25 Yes

Popular Name: 6-[[ethyl-[(1S)-1-(3-methoxyphenyl)ethyl]amino]methyl]-1-methyl-5H-pyrazolo[3,4-d]pyrimidin-4-one 6-[[ethyl-[(1S)-1-(3-methoxyphen…

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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) 1.81 5.33 -13.21 1 7 0 76 341.415 6 ↓
Mid Mid (pH 6-8) 1.81 7.97 -49.84 2 7 1 77 342.423 6 ↓
Mid Mid (pH 6-8) 2.27 5.55 -45.21 1 7 0 80 341.415 6 ↓

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

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