| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 2nd, 2010 | 20 | Yes |
Popular Name: (1S)-N'-(2-dimethylaminoethyl)-1-(3,4-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 | 7.29 | -99.28 | 4 | 3 | 2 | 35 | 279.472 | 8 | ↓ |
| Hi High (pH 8-9.5) | 1.19 | 6.52 | -32.31 | 3 | 3 | 1 | 34 | 278.464 | 8 | ↓ |
| Hi High (pH 8-9.5) | 1.19 | 6.56 | -33.9 | 3 | 3 | 1 | 34 | 278.464 | 8 | ↓ |
| Hi High (pH 8-9.5) | 1.19 | 4.83 | -40.65 | 3 | 3 | 1 | 34 | 278.464 | 8 | ↓ |
| Lo Low (pH 4.5-6) | 1.19 | 9.39 | -230.29 | 5 | 3 | 3 | 37 | 280.48 | 8 | ↓ |
