| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 3rd, 2010 | 21 | Yes |
Popular Name: (2S)-N1,N1-diethyl-N2-[(1R)-1-(4-isopropoxyphenyl)ethyl]propane-1,2-diamine (2S)-N1,N1-diethyl-N2-[(1R)-1-(4…
| 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) | 3.96 | 9.83 | -34.85 | 2 | 3 | 1 | 29 | 293.475 | 9 | ↓ |
| Mid Mid (pH 6-8) | 3.96 | 9.14 | -33.49 | 2 | 3 | 1 | 26 | 293.475 | 9 | ↓ |
| Lo Low (pH 4.5-6) | 3.96 | 10.04 | -110.96 | 3 | 3 | 2 | 30 | 294.483 | 9 | ↓ |
