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