| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 3rd, 2010 | 21 | Yes |
Popular Name: (2S)-N2-[(5-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-N1,N1-diethyl-propane-1,2-diamine (2S)-N2-[(5-bromo-2,3-dihydro-1,…
| 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) | 3.05 | 6.83 | -40.69 | 2 | 4 | 1 | 38 | 358.3 | 7 | ↓ |
| Mid Mid (pH 6-8) | 3.05 | 7.33 | -38.12 | 2 | 4 | 1 | 35 | 358.3 | 7 | ↓ |
| Lo Low (pH 4.5-6) | 3.05 | 8.58 | -120.72 | 3 | 4 | 2 | 40 | 359.308 | 7 | ↓ |
