| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 17th, 2009 | 18 | Yes |
Popular Name: (1S)-1-(7-bromo-1,3-benzodioxol-5-yl)-N,N-diethyl-ethane-1,2-diamine (1S)-1-(7-bromo-1,3-benzodioxol-…
| 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) | 2.11 | 4.53 | -132.21 | 4 | 4 | 2 | 51 | 317.227 | 5 | ↓ |
| Mid Mid (pH 6-8) | 2.11 | 3.28 | -53.16 | 3 | 4 | 1 | 49 | 316.219 | 5 | ↓ |
| Mid Mid (pH 6-8) | 2.11 | 4.22 | -35.48 | 3 | 4 | 1 | 49 | 316.219 | 5 | ↓ |
