| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 3rd, 2011 | 21 | Yes |
Popular Name: 4-[4-[(6-methoxy-2-pyridyl)methyl]-1,4-diazepan-1-yl]butan-1-amine 4-[4-[(6-methoxy-2-pyridyl)methy…
| 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) | 0.48 | 3.18 | -88.63 | 4 | 5 | 2 | 57 | 294.443 | 7 | ↓ |
| Hi High (pH 8-9.5) | 0.48 | 1.18 | -46.02 | 3 | 5 | 1 | 56 | 293.435 | 7 | ↓ |
| Lo Low (pH 4.5-6) | 0.48 | 5.02 | -191.49 | 5 | 5 | 3 | 59 | 295.451 | 7 | ↓ |
| Lo Low (pH 4.5-6) | 0.48 | 3.01 | -102.52 | 4 | 5 | 2 | 57 | 294.443 | 7 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
