| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 19th, 2009 | 17 | Yes |
Popular Name: 4-[4-(2-dimethylaminoethyl)-1,4-diazepan-1-yl]butan-1-amine 4-[4-(2-dimethylaminoethyl)-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) | -0.12 | 2.43 | -84.09 | 4 | 4 | 2 | 39 | 244.427 | 7 | ↓ |
| Hi High (pH 8-9.5) | -0.12 | 2.25 | -96.82 | 4 | 4 | 2 | 39 | 244.427 | 7 | ↓ |
| Hi High (pH 8-9.5) | -0.12 | 2.91 | -82.44 | 4 | 4 | 2 | 39 | 244.427 | 7 | ↓ |
| Mid Mid (pH 6-8) | -0.12 | 0.43 | -41.75 | 3 | 4 | 1 | 37 | 243.419 | 7 | ↓ |
