| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 19th, 2011 | 21 | Yes |
Popular Name: (2S)-2-amino-3-[2-dimethylaminoethyl(isobutyl)amino]-2-phenyl-propan-1-ol (2S)-2-amino-3-[2-dimethylaminoe…
| 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) | 1.93 | 4.47 | -99.81 | 5 | 4 | 2 | 56 | 295.471 | 9 | ↓ |
| Hi High (pH 8-9.5) | 1.93 | 4.69 | -35.71 | 4 | 4 | 1 | 54 | 294.463 | 9 | ↓ |
| Hi High (pH 8-9.5) | 1.93 | 2.33 | -2.87 | 3 | 4 | 0 | 53 | 293.455 | 9 | ↓ |
| Lo Low (pH 4.5-6) | 1.93 | 5.99 | -113.88 | 5 | 4 | 2 | 55 | 295.471 | 9 | ↓ |
