| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 9th, 2008 | 20 | Yes |
Popular Name: (2S)-N-[(1S)-1-(3-chloro-4-fluoro-phenyl)ethyl]-N',N',4-trimethyl-pentane-1,2-diamine (2S)-N-[(1S)-1-(3-chloro-4-fluor…
| 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) | 4.50 | 8.23 | -44.42 | 2 | 2 | 1 | 20 | 301.857 | 7 | ↓ |
| Mid Mid (pH 6-8) | 4.50 | 10.23 | -133.14 | 3 | 2 | 2 | 21 | 302.865 | 7 | ↓ |
| Mid Mid (pH 6-8) | 4.50 | 9.25 | -38.7 | 2 | 2 | 1 | 16 | 301.857 | 7 | ↓ |
