UCSF

ZINC41531876

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
April 20th, 2010 19 Yes

Popular Name: N-(2-imidazol-1-ylethyl)-3-methylsulfanyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine N-(2-imidazol-1-ylethyl)-3-methy…

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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) 0.40 7.17 -40.29 3 7 1 86 276.349 5 ↓
Mid Mid (pH 6-8) 0.40 6.66 -12.38 2 7 0 84 275.341 5 ↓

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

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