| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 2nd, 2010 | 20 | Yes |
Popular Name: (1S)-N'-(2-dimethylaminoethyl)-1-(2,5-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 | -105.94 | 4 | 3 | 2 | 35 | 279.472 | 8 | ↓ |
| Hi High (pH 8-9.5) | 1.19 | 6.48 | -32.95 | 3 | 3 | 1 | 34 | 278.464 | 8 | ↓ |
| Hi High (pH 8-9.5) | 1.19 | 6.83 | -35.11 | 3 | 3 | 1 | 34 | 278.464 | 8 | ↓ |
| Hi High (pH 8-9.5) | 1.19 | 4.96 | -40.71 | 3 | 3 | 1 | 34 | 278.464 | 8 | ↓ |
| Hi High (pH 8-9.5) | 1.19 | 4.33 | -2.12 | 2 | 3 | 0 | 32 | 277.456 | 8 | ↓ |
| Lo Low (pH 4.5-6) | 1.19 | 9.32 | -238.63 | 5 | 3 | 3 | 37 | 280.48 | 8 | ↓ |
