| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 14th, 2009 | 17 | Yes |
Popular Name: (1R,2S)-N1-methyl-N1-(3-pyridylmethyl)cycloheptane-1,2-diamine (1R,2S)-N1-methyl-N1-(3-pyridylm…
| 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) | 1.27 | 5.35 | -125.88 | 4 | 3 | 2 | 45 | 235.375 | 3 | ↓ |
| Hi High (pH 8-9.5) | 1.27 | 3.51 | -41.65 | 3 | 3 | 1 | 44 | 234.367 | 3 | ↓ |
| Hi High (pH 8-9.5) | 1.27 | 5.75 | -37.87 | 3 | 3 | 1 | 43 | 234.367 | 3 | ↓ |
