UCSF

ZINC67981630

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 19th, 2011 23 Yes

Popular Name: 6-(2-tert-butyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-5-chloro-pyridine-3-carboxylic 6-(2-tert-butyl-5,7-dihydropyrro…

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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) 2.46 8.35 -43.73 0 6 -1 82 331.783 3 ↓
Lo Low (pH 4.5-6) 2.46 8.73 -39.44 1 6 0 83 332.791 3 ↓

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

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