| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 21st, 2010 | 21 | Yes |
Popular Name: (1R,2S)-N2-(2-dimethylaminoethyl)-N2-isobutyl-N1-methyl-1-phenyl-propane-1,2-diamine (1R,2S)-N2-(2-dimethylaminoethyl…
| 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) | 3.19 | 9.84 | -92.82 | 3 | 3 | 2 | 24 | 293.499 | 9 | ↓ |
| Hi High (pH 8-9.5) | 3.19 | 6.12 | -30.35 | 2 | 3 | 1 | 20 | 292.491 | 9 | ↓ |
| Hi High (pH 8-9.5) | 3.19 | 6.49 | -34.97 | 2 | 3 | 1 | 20 | 292.491 | 9 | ↓ |
| Hi High (pH 8-9.5) | 3.19 | 7.39 | -35.49 | 2 | 3 | 1 | 23 | 292.491 | 9 | ↓ |
| Mid Mid (pH 6-8) | 3.19 | 8.24 | -105.08 | 3 | 3 | 2 | 21 | 293.499 | 9 | ↓ |
| Lo Low (pH 4.5-6) | 3.19 | 10.46 | -192.76 | 4 | 3 | 3 | 25 | 294.507 | 9 | ↓ |
