| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 21st, 2010 | 16 | Yes |
Popular Name: 4-(1,4-diazepan-1-yl)-N-isopropyl-N-methyl-butan-1-amine 4-(1,4-diazepan-1-yl)-N-isopropy…
| 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) | 1.15 | 5.75 | -78.09 | 3 | 3 | 2 | 24 | 229.412 | 6 | ↓ |
| Hi High (pH 8-9.5) | 1.15 | 6.47 | -89.11 | 3 | 3 | 2 | 21 | 229.412 | 6 | ↓ |
| Hi High (pH 8-9.5) | 1.15 | 4.53 | -31.74 | 2 | 3 | 1 | 20 | 228.404 | 6 | ↓ |
