UCSF

ZINC41528165

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
April 20th, 2010 22 Yes

Popular Name: 3-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]-1H-pyrazolo[4,3-d]pyrimidin-7-amine 3-methyl-N-[(1-methylbenzimidazo…

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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) 1.29 5.74 -11.41 2 7 0 84 293.334 3 ↓
Mid Mid (pH 6-8) 1.29 6.55 -32.9 3 7 1 86 294.342 3 ↓

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

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