| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 18th, 2009 | 14 | Yes |
Popular Name: 3-[[(2S)-2-hydroxy-3-(isopropylamino)propyl]-methyl-amino]propanenitrile 3-[[(2S)-2-hydroxy-3-(isopropyla…
| 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) | -0.39 | 0.48 | -41.2 | 3 | 4 | 1 | 64 | 200.306 | 7 | ↓ |
| Mid Mid (pH 6-8) | -0.39 | 2.89 | -112.66 | 4 | 4 | 2 | 65 | 201.314 | 7 | ↓ |
