| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 20th, 2010 | 19 | Yes |
Popular Name: (1S,2R)-N2-[(2-fluorophenyl)methyl]-N1,N2-dimethyl-cycloheptane-1,2-diamine (1S,2R)-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) | 3.53 | 9.25 | -110.23 | 3 | 2 | 2 | 21 | 266.404 | 4 | ↓ |
| Hi High (pH 8-9.5) | 3.53 | 8.36 | -28.68 | 2 | 2 | 1 | 16 | 265.396 | 4 | ↓ |
| Hi High (pH 8-9.5) | 3.53 | 7.26 | -33.75 | 2 | 2 | 1 | 20 | 265.396 | 4 | ↓ |
