| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 12th, 2010 | 17 | Yes |
Popular Name: 2-[(2S)-3-(2-aminoethylamino)-2-hydroxy-propoxy]benzonitrile 2-[(2S)-3-(2-aminoethylamino)-2-…
| 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) | -0.70 | 0.41 | -129.76 | 6 | 5 | 2 | 98 | 237.303 | 7 | ↓ |
| Hi High (pH 8-9.5) | -0.70 | 0.04 | -48.8 | 5 | 5 | 1 | 96 | 236.295 | 7 | ↓ |
| Hi High (pH 8-9.5) | -0.70 | -1.38 | -11.7 | 4 | 5 | 0 | 91 | 235.287 | 7 | ↓ |
