In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 20th, 2010 | 21 | Yes |
Popular Name: (1R)-1-(3,4-dimethoxyphenyl)-N'-[(1S)-1,2-dimethylpropyl]-N,N'-dimethyl-ethane-1,2-diamine (1R)-1-(3,4-dimethoxyphenyl)-N'-…
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) | 2.81 | 8.14 | -125.45 | 3 | 4 | 2 | 40 | 296.455 | 8 | ↓ |
Hi High (pH 8-9.5) | 2.81 | 6.71 | -41.78 | 2 | 4 | 1 | 38 | 295.447 | 8 | ↓ |
Mid Mid (pH 6-8) | 2.81 | 6.93 | -36.82 | 2 | 4 | 1 | 35 | 295.447 | 8 | ↓ |