| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 9th, 2010 | 18 | Yes |
Popular Name: 3-[4-(2-methylpyrimidin-4-yl)-1,4-diazepan-1-yl]propan-1-amine 3-[4-(2-methylpyrimidin-4-yl)-1,…
| 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) | -0.44 | 4.14 | -48.26 | 3 | 5 | 1 | 60 | 250.37 | 4 | ↓ |
| Mid Mid (pH 6-8) | -0.44 | 6.38 | -171.06 | 5 | 5 | 3 | 62 | 252.386 | 4 | ↓ |
| Mid Mid (pH 6-8) | -0.44 | 5.94 | -116.48 | 4 | 5 | 2 | 61 | 251.378 | 4 | ↓ |
| Mid Mid (pH 6-8) | -0.44 | 4.59 | -81.3 | 4 | 5 | 2 | 61 | 251.378 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
