| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 9th, 2010 | 17 | Yes |
Popular Name: 2-[4-(2-methylpyrimidin-4-yl)-1,4-diazepan-1-yl]ethanamine 2-[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) | -0.71 | 3.38 | -49.17 | 3 | 5 | 1 | 60 | 236.343 | 3 | ↓ |
| Mid Mid (pH 6-8) | -0.71 | 5.6 | -183.01 | 5 | 5 | 3 | 62 | 238.359 | 3 | ↓ |
| Mid Mid (pH 6-8) | -0.71 | 5.16 | -127.05 | 4 | 5 | 2 | 61 | 237.351 | 3 | ↓ |
| Mid Mid (pH 6-8) | -0.71 | 3.82 | -83.87 | 4 | 5 | 2 | 61 | 237.351 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
