UCSF

ZINC52828001

Draw Identity 99% 90% 80% 70%

Substance Information

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

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

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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) 2.22 6.73 -48.82 1 6 0 71 311.389 6 ↓
Mid Mid (pH 6-8) 1.76 7.12 -12.81 1 6 0 67 311.389 6 ↓
Mid Mid (pH 6-8) 1.76 9.4 -59.6 2 6 1 68 312.397 6 ↓

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

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