| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 21st, 2010 | 21 | Yes |
Popular Name: (1S,2S)-N2-methyl-N1-propyl-N2-[[(2S)-tetrahydropyran-2-yl]methyl]cyclooctane-1,2-diamine (1S,2S)-N2-methyl-N1-propyl-N2-[…
| 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) | 4.28 | 7.99 | -30.14 | 2 | 3 | 1 | 29 | 297.507 | 6 | ↓ |
| Hi High (pH 8-9.5) | 4.28 | 7.32 | -0.86 | 1 | 3 | 0 | 24 | 296.499 | 6 | ↓ |
| Mid Mid (pH 6-8) | 4.28 | 9.39 | -28.87 | 2 | 3 | 1 | 26 | 297.507 | 6 | ↓ |
