| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 8th, 2011 | 21 | Yes |
Popular Name: N-[4-(azepan-1-yl)phenyl]-2-methyl-2-(methylamino)propanamide N-[4-(azepan-1-yl)phenyl]-2-meth…
| 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) | 3.23 | 7.17 | -45.11 | 3 | 4 | 1 | 49 | 290.431 | 4 | ↓ |
| Hi High (pH 8-9.5) | 3.23 | 5.93 | -6.61 | 2 | 4 | 0 | 44 | 289.423 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 3.23 | 7.47 | -88.47 | 4 | 4 | 2 | 50 | 291.439 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
