| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 2nd, 2010 | 20 | Yes |
Popular Name: (1S)-N'-(2-dimethylaminoethyl)-N-methyl-1-(o-tolyl)-N'-propyl-ethane-1,2-diamine (1S)-N'-(2-dimethylaminoethyl)-N…
| 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) | 3.02 | 8.66 | -99.37 | 3 | 3 | 2 | 24 | 279.472 | 9 | ↓ |
| Hi High (pH 8-9.5) | 3.02 | 7.03 | -36.01 | 2 | 3 | 1 | 20 | 278.464 | 9 | ↓ |
| Hi High (pH 8-9.5) | 3.02 | 7.95 | -37.74 | 2 | 3 | 1 | 20 | 278.464 | 9 | ↓ |
| Hi High (pH 8-9.5) | 3.02 | 6.17 | -34.76 | 2 | 3 | 1 | 23 | 278.464 | 9 | ↓ |
| Lo Low (pH 4.5-6) | 3.02 | 10.34 | -229.05 | 4 | 3 | 3 | 25 | 280.48 | 9 | ↓ |
