| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 20th, 2009 | 14 | Yes |
Popular Name: (1R,2S)-N1-methyl-N1-[(1R)-1-methylpropyl]cycloheptane-1,2-diamine (1R,2S)-N1-methyl-N1-[(1R)-1-met…
| 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) | 2.32 | 5.65 | -115.39 | 4 | 2 | 2 | 32 | 200.37 | 3 | ↓ |
| Hi High (pH 8-9.5) | 2.32 | 4.03 | -38.46 | 3 | 2 | 1 | 31 | 199.362 | 3 | ↓ |
| Hi High (pH 8-9.5) | 2.32 | 5.66 | -29.66 | 3 | 2 | 1 | 30 | 199.362 | 3 | ↓ |
