| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 2nd, 2010 | 19 | Yes |
Popular Name: (2S)-N2-[(1S)-1-(4-bromophenyl)propyl]-N1,N1-diethyl-propane-1,2-diamine (2S)-N2-[(1S)-1-(4-bromophenyl)p…
| 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) | 3.58 | 8.93 | -35.99 | 2 | 2 | 1 | 20 | 328.318 | 8 | ↓ |
| Mid Mid (pH 6-8) | 3.58 | 10.45 | -33.07 | 2 | 2 | 1 | 16 | 328.318 | 8 | ↓ |
| Lo Low (pH 4.5-6) | 3.58 | 10.39 | -116.28 | 3 | 2 | 2 | 21 | 329.326 | 8 | ↓ |
