| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 4th, 2010 | 19 | Yes |
Popular Name: (1S,2S)-N1-(2-dimethylaminoethyl)-N1-isobutyl-cyclooctane-1,2-diamine (1S,2S)-N1-(2-dimethylaminoethyl…
| 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) | 2.77 | 5.61 | -27.84 | 3 | 3 | 1 | 34 | 270.485 | 6 | ↓ |
| Hi High (pH 8-9.5) | 2.77 | 4.29 | -37.86 | 3 | 3 | 1 | 34 | 270.485 | 6 | ↓ |
| Mid Mid (pH 6-8) | 2.77 | 8.07 | -105.01 | 4 | 3 | 2 | 35 | 271.493 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 2.77 | 8.39 | -228.65 | 5 | 3 | 3 | 37 | 272.501 | 6 | ↓ |
