| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 20th, 2010 | 18 | Yes |
Popular Name: (1S,2S)-N1,N2-dimethyl-N2-(2-pyridylmethyl)cycloheptane-1,2-diamine (1S,2S)-N1,N2-dimethyl-N2-(2-pyr…
| 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) | 2.25 | 7.81 | -112.82 | 3 | 3 | 2 | 34 | 249.402 | 4 | ↓ |
| Hi High (pH 8-9.5) | 2.25 | 6.02 | -37.17 | 2 | 3 | 1 | 33 | 248.394 | 4 | ↓ |
| Hi High (pH 8-9.5) | 2.25 | 7.24 | -27.91 | 2 | 3 | 1 | 29 | 248.394 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 2.25 | 6.33 | -93.38 | 3 | 3 | 2 | 34 | 249.402 | 4 | ↓ |
