| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 10th, 2009 | 20 | Yes |
Popular Name: 4-[4-(4,6-dimethylpyrimidin-2-yl)-1,4-diazepan-1-yl]butan-1-amine 4-[4-(4,6-dimethylpyrimidin-2-yl…
| 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) | 1.14 | 8.91 | -100.78 | 4 | 5 | 2 | 61 | 279.432 | 5 | ↓ |
| Hi High (pH 8-9.5) | 1.14 | 7.1 | -47.15 | 3 | 5 | 1 | 60 | 278.424 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 1.14 | 9.2 | -163.04 | 5 | 5 | 3 | 62 | 280.44 | 5 | ↓ |
