| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 2nd, 2009 | 19 | Yes |
Popular Name: (2S)-3-[[(2S)-2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]amino]propane-1,2-diol (2S)-3-[[(2S)-2-(dimethylamino)-…
| 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) | 0.12 | 0.83 | -118.15 | 5 | 5 | 2 | 71 | 270.373 | 8 | ↓ |
| Hi High (pH 8-9.5) | 0.12 | -2.75 | -7.97 | 3 | 5 | 0 | 65 | 268.357 | 8 | ↓ |
| Mid Mid (pH 6-8) | 0.12 | -1.43 | -44.27 | 4 | 5 | 1 | 70 | 269.365 | 8 | ↓ |
| Mid Mid (pH 6-8) | 0.12 | -0.45 | -42.69 | 4 | 5 | 1 | 66 | 269.365 | 8 | ↓ |
