UCSF

ZINC52828314

Draw Identity 99% 90% 80% 70%

Substance Information

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

Popular Name: 6-[[cyclopropyl-[(5-methyl-2-furyl)methyl]amino]methyl]-1-methyl-5H-pyrazolo[3,4-d]pyrimidin-4-one 6-[[cyclopropyl-[(5-methyl-2-fur…

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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) 1.14 4.94 -46.4 1 7 0 84 313.361 5 ↓
Mid Mid (pH 6-8) 0.68 5.73 -13.43 1 7 0 80 313.361 5 ↓
Mid Mid (pH 6-8) 0.68 8.18 -50.75 2 7 1 81 314.369 5 ↓

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

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