UCSF

ZINC67563172

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 11th, 2011 24 Yes

Popular Name: 4-(2-tert-butyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-6-isopropoxy-pyrimidin-2-amine 4-(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) 2.32 7.09 -7.6 2 7 0 90 328.42 4 ↓
Lo Low (pH 4.5-6) 2.32 7.94 -30.56 3 7 1 91 329.428 4 ↓
Lo Low (pH 4.5-6) 2.32 7.52 -33.41 3 7 1 91 329.428 4 ↓

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

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