| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 19th, 2008 | 19 | Yes |
Popular Name: (7R,8S)-7-(4-methyl-1,4-diazepan-1-yl)-1,4-dioxaspiro[4.5]decan-8-amine (7R,8S)-7-(4-methyl-1,4-diazepan…
| 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) | -0.10 | 3.06 | -102.03 | 4 | 5 | 2 | 54 | 271.405 | 1 | ↓ |
| Hi High (pH 8-9.5) | -0.10 | 1.01 | -45.67 | 3 | 5 | 1 | 53 | 270.397 | 1 | ↓ |
| Hi High (pH 8-9.5) | -0.10 | 0.82 | -3.27 | 2 | 5 | 0 | 51 | 269.389 | 1 | ↓ |
| Mid Mid (pH 6-8) | -0.10 | 2.62 | -115.82 | 4 | 5 | 2 | 54 | 271.405 | 1 | ↓ |
