| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 20th, 2009 | 15 | Yes |
Popular Name: (1S)-1-(3-bromophenyl)-N-methyl-N-propyl-ethane-1,2-diamine (1S)-1-(3-bromophenyl)-N-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) | 2.39 | 4.4 | -42.57 | 3 | 2 | 1 | 31 | 272.21 | 5 | ↓ |
| Hi High (pH 8-9.5) | 2.39 | 6.62 | -32.44 | 3 | 2 | 1 | 30 | 272.21 | 5 | ↓ |
| Mid Mid (pH 6-8) | 2.39 | 6.36 | -119.65 | 4 | 2 | 2 | 32 | 273.218 | 5 | ↓ |
