| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 12th, 2010 | 19 | Yes |
Popular Name: 3-[4-(6-ethylpyrimidin-4-yl)-1,4-diazepan-1-yl]propan-1-amine 3-[4-(6-ethylpyrimidin-4-yl)-1,4…
| 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) | 0.49 | 7.44 | -115.61 | 4 | 5 | 2 | 61 | 265.405 | 5 | ↓ |
| Mid Mid (pH 6-8) | 0.49 | 5.62 | -47.87 | 3 | 5 | 1 | 60 | 264.397 | 5 | ↓ |
| Mid Mid (pH 6-8) | 0.49 | 5.99 | -80.14 | 4 | 5 | 2 | 61 | 265.405 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 0.49 | 7.82 | -169.83 | 5 | 5 | 3 | 62 | 266.413 | 5 | ↓ |
