| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 9th, 2008 | 18 | Yes |
Popular Name: (2S)-N-[(2-chlorophenyl)methyl]-N',N',4-trimethyl-pentane-1,2-diamine (2S)-N-[(2-chlorophenyl)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) | 3.80 | 7.44 | -37.54 | 2 | 2 | 1 | 20 | 269.84 | 7 | ↓ |
| Mid Mid (pH 6-8) | 3.80 | 8.29 | -35.42 | 2 | 2 | 1 | 16 | 269.84 | 7 | ↓ |
| Mid Mid (pH 6-8) | 3.80 | 9.5 | -114.71 | 3 | 2 | 2 | 21 | 270.848 | 7 | ↓ |
