| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 5th, 2010 | 16 | Yes |
Popular Name: (6S)-6-methyl-1-[[(1S,2S)-2-methylcyclohexyl]methyl]-1,4-diazepane (6S)-6-methyl-1-[[(1S,2S)-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) | 2.91 | 8.07 | -112.72 | 3 | 2 | 2 | 21 | 226.408 | 2 | ↓ |
| Hi High (pH 8-9.5) | 2.91 | 6.5 | -37.22 | 2 | 2 | 1 | 20 | 225.4 | 2 | ↓ |
| Hi High (pH 8-9.5) | 2.91 | 5.25 | -0.6 | 1 | 2 | 0 | 15 | 224.392 | 2 | ↓ |
| Mid Mid (pH 6-8) | 2.91 | 6.81 | -31.02 | 2 | 2 | 1 | 16 | 225.4 | 2 | ↓ |
