| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 21st, 2010 | 17 | Yes |
Popular Name: (2S)-N1-[(1R)-1-(2,4-dibromophenyl)ethyl]-N2,N2-dimethyl-propane-1,2-diamine (2S)-N1-[(1R)-1-(2,4-dibromophen…
| 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) | 3.96 | 6.96 | -37.96 | 2 | 2 | 1 | 20 | 365.133 | 5 | ↓ |
| Hi High (pH 8-9.5) | 3.96 | 5.85 | -0.85 | 1 | 2 | 0 | 15 | 364.125 | 5 | ↓ |
| Mid Mid (pH 6-8) | 3.96 | 7.8 | -35.03 | 2 | 2 | 1 | 16 | 365.133 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 3.96 | 8.91 | -119.87 | 3 | 2 | 2 | 21 | 366.141 | 5 | ↓ |
