| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 21st, 2010 | 19 | Yes |
Popular Name: (1S,2R)-N1-ethyl-N2-methyl-N2-[[(2S)-tetrahydropyran-2-yl]methyl]cycloheptane-1,2-diamine (1S,2R)-N1-ethyl-N2-methyl-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) | 3.27 | 6.49 | -28.41 | 2 | 3 | 1 | 29 | 269.453 | 5 | ↓ |
| Hi High (pH 8-9.5) | 3.27 | 5.18 | -1.03 | 1 | 3 | 0 | 24 | 268.445 | 5 | ↓ |
| Hi High (pH 8-9.5) | 3.28 | 7.56 | -29.13 | 2 | 3 | 1 | 26 | 269.453 | 5 | ↓ |
