| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 18th, 2008 | 19 | Yes |
Popular Name: [1-isopropyl-4-(4-methyl-1,4-diazepan-1-yl)-4-piperidyl]methanamine [1-isopropyl-4-(4-methyl-1,4-dia…
| 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) | 0.47 | 5.07 | -177.72 | 5 | 4 | 3 | 40 | 271.473 | 3 | ↓ |
| Hi High (pH 8-9.5) | 0.47 | 4.74 | -81.94 | 4 | 4 | 2 | 38 | 270.465 | 3 | ↓ |
| Hi High (pH 8-9.5) | 0.47 | 2.63 | -108.56 | 4 | 4 | 2 | 39 | 270.465 | 3 | ↓ |
