| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 21st, 2010 | 21 | Yes |
Popular Name: (1S)-N'-(2-dimethylaminoethyl)-N'-isobutyl-N-methyl-1-(p-tolyl)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) | 3.31 | 10.02 | -99.63 | 3 | 3 | 2 | 24 | 293.499 | 9 | ↓ |
| Hi High (pH 8-9.5) | 3.31 | 7.79 | -34.46 | 2 | 3 | 1 | 20 | 292.491 | 9 | ↓ |
| Hi High (pH 8-9.5) | 3.31 | 6.76 | -35.09 | 2 | 3 | 1 | 20 | 292.491 | 9 | ↓ |
| Hi High (pH 8-9.5) | 3.31 | 7.56 | -36.17 | 2 | 3 | 1 | 23 | 292.491 | 9 | ↓ |
| Mid Mid (pH 6-8) | 3.31 | 10.02 | -106.83 | 3 | 3 | 2 | 21 | 293.499 | 9 | ↓ |
| Lo Low (pH 4.5-6) | 3.31 | 11.27 | -228.33 | 4 | 3 | 3 | 25 | 294.507 | 9 | ↓ |
