| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 20th, 2009 | 21 | Yes |
Popular Name: 4-[(1S)-2-amino-1-(azepan-1-yl)ethyl]-2-chloro-6-ethoxy-phenol 4-[(1S)-2-amino-1-(azepan-1-yl)e…
| 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) | 2.69 | 4.55 | -47.38 | 4 | 4 | 1 | 60 | 313.849 | 5 | ↓ |
| Hi High (pH 8-9.5) | 2.69 | 4.57 | -81.9 | 3 | 4 | 0 | 63 | 312.841 | 5 | ↓ |
| Hi High (pH 8-9.5) | 2.69 | 5.97 | -52.45 | 3 | 4 | 0 | 63 | 312.841 | 5 | ↓ |
| Mid Mid (pH 6-8) | 2.69 | 6.34 | -137.11 | 4 | 4 | 1 | 64 | 313.849 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
