| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 20th, 2010 | 21 | Yes |
Popular Name: (1R,2S)-N2-[(2-fluorophenyl)methyl]-N2-methyl-N1-propyl-cycloheptane-1,2-diamine (1R,2S)-N2-[(2-fluorophenyl)meth…
| 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) | 4.41 | 11 | -111.27 | 3 | 2 | 2 | 21 | 294.458 | 6 | ↓ |
| Hi High (pH 8-9.5) | 4.41 | 9.06 | -32.05 | 2 | 2 | 1 | 20 | 293.45 | 6 | ↓ |
| Hi High (pH 8-9.5) | 4.41 | 9.78 | -33.07 | 2 | 2 | 1 | 16 | 293.45 | 6 | ↓ |
