| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 12th, 2010 | 20 | Yes |
Popular Name: 3-[4-(6-isopropylpyrimidin-4-yl)-1,4-diazepan-1-yl]propan-1-amine 3-[4-(6-isopropylpyrimidin-4-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) | 0.97 | 7.85 | -117.62 | 4 | 5 | 2 | 61 | 279.432 | 5 | ↓ |
| Mid Mid (pH 6-8) | 0.97 | 6.05 | -48.12 | 3 | 5 | 1 | 60 | 278.424 | 5 | ↓ |
| Mid Mid (pH 6-8) | 0.97 | 6.7 | -79.44 | 4 | 5 | 2 | 61 | 279.432 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 0.97 | 8.49 | -170.93 | 5 | 5 | 3 | 62 | 280.44 | 5 | ↓ |
