| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 8th, 2009 | 17 | Yes |
Popular Name: N'-[3-(azepan-1-yl)propyl]-N-ethyl-propane-1,3-diamine N'-[3-(azepan-1-yl)propyl]-N-eth…
| 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) | 1.54 | 6.11 | -82.38 | 4 | 3 | 2 | 33 | 243.439 | 9 | ↓ |
| Hi High (pH 8-9.5) | 1.54 | 4.42 | -35.48 | 3 | 3 | 1 | 32 | 242.431 | 9 | ↓ |
| Hi High (pH 8-9.5) | 1.54 | 4.41 | -38.73 | 3 | 3 | 1 | 32 | 242.431 | 9 | ↓ |
| Mid Mid (pH 6-8) | 1.54 | 7.53 | -185 | 5 | 3 | 3 | 38 | 244.447 | 9 | ↓ |
| Mid Mid (pH 6-8) | 1.54 | 5.77 | -104.44 | 4 | 3 | 2 | 36 | 243.439 | 9 | ↓ |
