| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 19th, 2009 | 21 | Yes |
Popular Name: 3-[4-[(4-isopropylphenyl)methyl]-1,4-diazepan-1-yl]propan-1-amine 3-[4-[(4-isopropylphenyl)methyl]…
| 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) | 2.49 | 5.27 | -42.25 | 3 | 3 | 1 | 34 | 290.475 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 2.49 | 9.52 | -198.27 | 5 | 3 | 3 | 37 | 292.491 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 2.49 | 7.6 | -103.06 | 4 | 3 | 2 | 35 | 291.483 | 6 | ↓ |
