| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 2nd, 2010 | 21 | Yes |
Popular Name: (1R,2S)-N2-(2-dimethylaminoethyl)-1-(4-methoxyphenyl)-N2-propyl-propane-1,2-diamine (1R,2S)-N2-(2-dimethylaminoethyl…
| 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) | 0.75 | 5.66 | -105.58 | 4 | 4 | 2 | 45 | 295.471 | 9 | ↓ |
| Hi High (pH 8-9.5) | 0.75 | 5.31 | -40.23 | 3 | 4 | 1 | 43 | 294.463 | 9 | ↓ |
| Hi High (pH 8-9.5) | 0.75 | 4.62 | -33.23 | 3 | 4 | 1 | 43 | 294.463 | 9 | ↓ |
| Hi High (pH 8-9.5) | 0.75 | 3.18 | -47.15 | 3 | 4 | 1 | 43 | 294.463 | 9 | ↓ |
| Lo Low (pH 4.5-6) | 0.75 | 7.42 | -217.39 | 5 | 4 | 3 | 46 | 296.479 | 9 | ↓ |
