UCSF

ZINC41528749

Draw Identity 99% 90% 80% 70%

Substance Information

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

Popular Name: 3-methylsulfanyl-N-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine 3-methylsulfanyl-N-(1,3,5-trimet…

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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) 1.68 5.79 -10.11 2 7 0 84 289.368 3 ↓
Lo Low (pH 4.5-6) 1.68 5.91 -32.4 3 7 1 86 290.376 3 ↓

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

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