| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 2nd, 2010 | 21 | Yes |
Popular Name: (1S)-N'-(2-dimethylaminoethyl)-1-(2-methoxy-5-methyl-phenyl)-N'-propyl-ethane-1,2-diamine (1S)-N'-(2-dimethylaminoethyl)-1…
| 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) | 0.80 | 6.36 | -101.04 | 4 | 4 | 2 | 45 | 295.471 | 9 | ↓ |
| Hi High (pH 8-9.5) | 0.80 | 5.46 | -33.75 | 3 | 4 | 1 | 43 | 294.463 | 9 | ↓ |
| Hi High (pH 8-9.5) | 0.80 | 3.89 | -40.22 | 3 | 4 | 1 | 43 | 294.463 | 9 | ↓ |
| Hi High (pH 8-9.5) | 0.80 | 6.03 | -35.34 | 3 | 4 | 1 | 43 | 294.463 | 9 | ↓ |
| Hi High (pH 8-9.5) | 0.80 | 3.27 | -3.62 | 2 | 4 | 0 | 42 | 293.455 | 9 | ↓ |
| Lo Low (pH 4.5-6) | 0.80 | 8.22 | -227.95 | 5 | 4 | 3 | 46 | 296.479 | 9 | ↓ |
