| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 6th, 2010 | 18 | Yes |
Popular Name: (1S,2R)-1-(4-bromophenyl)-N1-butyl-N1-ethyl-propane-1,2-diamine (1S,2R)-1-(4-bromophenyl)-N1-but…
| 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) | 3.75 | 7.85 | -116.3 | 4 | 2 | 2 | 32 | 315.299 | 7 | ↓ |
| Hi High (pH 8-9.5) | 3.75 | 7.54 | -33.12 | 3 | 2 | 1 | 30 | 314.291 | 7 | ↓ |
| Mid Mid (pH 6-8) | 3.75 | 5.77 | -43.69 | 3 | 2 | 1 | 31 | 314.291 | 7 | ↓ |
