| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 2nd, 2010 | 19 | Yes |
Popular Name: (1S,2S)-N1-(2-dimethylaminoethyl)-N2-methyl-N1-propyl-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) | 3.43 | 5.81 | -28.99 | 2 | 3 | 1 | 20 | 270.485 | 7 | ↓ |
| Hi High (pH 8-9.5) | 3.43 | 5.42 | -32.28 | 2 | 3 | 1 | 23 | 270.485 | 7 | ↓ |
| Hi High (pH 8-9.5) | 3.43 | 6.58 | -35.67 | 2 | 3 | 1 | 20 | 270.485 | 7 | ↓ |
| Mid Mid (pH 6-8) | 3.43 | 8.28 | -106.08 | 3 | 3 | 2 | 21 | 271.493 | 7 | ↓ |
| Lo Low (pH 4.5-6) | 3.43 | 9.53 | -219.75 | 4 | 3 | 3 | 25 | 272.501 | 7 | ↓ |
