| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 2nd, 2010 | 20 | Yes |
Popular Name: (1S)-N'-(2-dimethylaminoethyl)-1-(2,4-dimethylphenyl)-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) | 1.19 | 7.45 | -105.59 | 4 | 3 | 2 | 35 | 279.472 | 8 | ↓ |
| Hi High (pH 8-9.5) | 1.19 | 6.53 | -36.59 | 3 | 3 | 1 | 34 | 278.464 | 8 | ↓ |
| Hi High (pH 8-9.5) | 1.19 | 4.96 | -41.57 | 3 | 3 | 1 | 34 | 278.464 | 8 | ↓ |
| Hi High (pH 8-9.5) | 1.19 | 7.11 | -37.16 | 3 | 3 | 1 | 34 | 278.464 | 8 | ↓ |
| Hi High (pH 8-9.5) | 1.19 | 4.33 | -2.11 | 2 | 3 | 0 | 32 | 277.456 | 8 | ↓ |
| Lo Low (pH 4.5-6) | 1.19 | 9.31 | -237.71 | 5 | 3 | 3 | 37 | 280.48 | 8 | ↓ |
