| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 17th, 2010 | 21 | Yes |
Popular Name: (2S)-1-(azepan-1-yl)-2-[[(1S,3S)-1-(hydroxymethyl)-3-methyl-cyclohexyl]amino]propan-1-one (2S)-1-(azepan-1-yl)-2-[[(1S,3S)…
| 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) | 2.54 | 5.4 | -33.2 | 3 | 4 | 1 | 57 | 297.463 | 4 | ↓ |
| Hi High (pH 8-9.5) | 2.54 | 4.4 | -10.42 | 2 | 4 | 0 | 53 | 296.455 | 4 | ↓ |
