| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 8th, 2010 | 16 | Yes |
Popular Name: (2S)-N2-[(4-fluorophenyl)methyl]-N1,N2-dimethyl-butane-1,2-diamine (2S)-N2-[(4-fluorophenyl)methyl]…
| 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) | 2.56 | 7.48 | -120.19 | 3 | 2 | 2 | 21 | 226.339 | 6 | ↓ |
| Hi High (pH 8-9.5) | 2.56 | 5.76 | -38.54 | 2 | 2 | 1 | 20 | 225.331 | 6 | ↓ |
| Hi High (pH 8-9.5) | 2.56 | 6.04 | -36.57 | 2 | 2 | 1 | 16 | 225.331 | 6 | ↓ |
