| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 21st, 2010 | 20 | Yes |
Popular Name: (1S,2S)-N1-(2-dimethylaminoethyl)-N1-isobutyl-N2-methyl-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) | 3.68 | 6.58 | -28.33 | 2 | 3 | 1 | 20 | 284.512 | 7 | ↓ |
| Hi High (pH 8-9.5) | 3.68 | 7.63 | -35.59 | 2 | 3 | 1 | 20 | 284.512 | 7 | ↓ |
| Hi High (pH 8-9.5) | 3.68 | 6.36 | -33.6 | 2 | 3 | 1 | 23 | 284.512 | 7 | ↓ |
| Hi High (pH 8-9.5) | 3.68 | 7.51 | -110.32 | 3 | 3 | 2 | 24 | 285.52 | 7 | ↓ |
| Mid Mid (pH 6-8) | 3.68 | 9.84 | -105.05 | 3 | 3 | 2 | 21 | 285.52 | 7 | ↓ |
| Lo Low (pH 4.5-6) | 3.68 | 9.96 | -220.61 | 4 | 3 | 3 | 25 | 286.528 | 7 | ↓ |
