| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 13th, 2010 | 17 | Yes |
Popular Name: 3-[[(2R)-2-hydroxy-3-(isopropylamino)propyl]-isobutyl-amino]propanenitrile 3-[[(2R)-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) | 0.74 | 5.33 | -47.82 | 3 | 4 | 1 | 68 | 242.387 | 9 | ↓ |
| Mid Mid (pH 6-8) | 0.74 | 3.47 | -41.87 | 3 | 4 | 1 | 64 | 242.387 | 9 | ↓ |
| Mid Mid (pH 6-8) | 0.74 | 5.27 | -115.44 | 4 | 4 | 2 | 65 | 243.395 | 9 | ↓ |
