| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 20th, 2010 | 19 | Yes |
Popular Name: (1S,2S)-N1-ethyl-N2-methyl-N2-(4-pyridylmethyl)cycloheptane-1,2-diamine (1S,2S)-N1-ethyl-N2-methyl-N2-(4…
| 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) | 2.51 | 8.39 | -120.06 | 3 | 3 | 2 | 34 | 263.429 | 5 | ↓ |
| Hi High (pH 8-9.5) | 2.50 | 5.47 | -2.34 | 1 | 3 | 0 | 28 | 261.413 | 5 | ↓ |
| Hi High (pH 8-9.5) | 2.51 | 6.59 | -36.75 | 2 | 3 | 1 | 33 | 262.421 | 5 | ↓ |
| Hi High (pH 8-9.5) | 2.51 | 7.76 | -35.21 | 2 | 3 | 1 | 29 | 262.421 | 5 | ↓ |
