| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 22nd, 2009 | 17 | Yes |
Popular Name: (1S,2R)-1-(4-ethylphenyl)-N2-isopropyl-N2-methyl-propane-1,2-diamine (1S,2R)-1-(4-ethylphenyl)-N2-iso…
| 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) | 1.37 | 6.66 | -109.44 | 4 | 2 | 2 | 32 | 236.403 | 5 | ↓ |
| Hi High (pH 8-9.5) | 1.37 | 4.83 | -1.62 | 2 | 2 | 0 | 29 | 234.387 | 5 | ↓ |
| Mid Mid (pH 6-8) | 1.37 | 6.33 | -29.93 | 3 | 2 | 1 | 30 | 235.395 | 5 | ↓ |
| Mid Mid (pH 6-8) | 1.37 | 5.23 | -42.6 | 3 | 2 | 1 | 31 | 235.395 | 5 | ↓ |
