| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 21st, 2010 | 16 | Yes |
Popular Name: 4-[(5S)-5-ethyl-1,4-diazepan-1-yl]-N,N-dimethyl-butan-1-amine 4-[(5S)-5-ethyl-1,4-diazepan-1-y…
| 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) | 1.70 | 5.95 | -78.09 | 3 | 3 | 2 | 24 | 229.412 | 6 | ↓ |
| Mid Mid (pH 6-8) | 1.70 | 6.61 | -89.82 | 3 | 3 | 2 | 21 | 229.412 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 1.70 | 7.8 | -176.7 | 4 | 3 | 3 | 25 | 230.42 | 6 | ↓ |
