| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 20th, 2009 | 17 | Yes |
Popular Name: (2S)-3-[4-(2-dimethylaminoethyl)-1,4-diazepan-1-yl]-2-methyl-propan-1-amine (2S)-3-[4-(2-dimethylaminoethyl)…
| 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) | 0.08 | 2.49 | -88.15 | 4 | 4 | 2 | 39 | 244.427 | 6 | ↓ |
| Hi High (pH 8-9.5) | 0.09 | 0.68 | -42.48 | 3 | 4 | 1 | 37 | 243.419 | 6 | ↓ |
| Mid Mid (pH 6-8) | 0.08 | 4.96 | -171.02 | 5 | 4 | 3 | 40 | 245.435 | 6 | ↓ |
| Mid Mid (pH 6-8) | 0.09 | 3.15 | -83.35 | 4 | 4 | 2 | 39 | 244.427 | 6 | ↓ |
