In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 2nd, 2009 | 16 | Yes |
Popular Name: (1S)-1-(7-bromo-1,3-benzodioxol-5-yl)-N,N-dimethyl-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) | 1.36 | 1.39 | -49.21 | 3 | 4 | 1 | 49 | 288.165 | 3 | ↓ |
Mid Mid (pH 6-8) | 1.36 | 3.65 | -126.29 | 4 | 4 | 2 | 51 | 289.173 | 3 | ↓ |