| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 11th, 2010 | 23 | Yes |
Popular Name: 4-[[2-(azepan-1-yl)ethyl-isopropyl-amino]methyl]benzoic 4-[[2-(azepan-1-yl)ethyl-isoprop…
| 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) | 3.77 | 12.09 | -146.47 | 2 | 4 | 1 | 49 | 319.469 | 7 | ↓ |
| Hi High (pH 8-9.5) | 3.77 | 10.02 | -72.15 | 1 | 4 | 0 | 48 | 318.461 | 7 | ↓ |
| Mid Mid (pH 6-8) | 3.77 | 10.15 | -74.79 | 1 | 4 | 0 | 48 | 318.461 | 7 | ↓ |
