| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 3rd, 2010 | 20 | Yes |
Popular Name: 4-[(1R)-2-[2-dimethylaminoethyl(propyl)amino]-1-hydroxy-ethyl]benzonitrile 4-[(1R)-2-[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) | 1.82 | 5.72 | -45.88 | 2 | 4 | 1 | 52 | 276.404 | 8 | ↓ |
| Mid Mid (pH 6-8) | 1.82 | 5.79 | -41.85 | 2 | 4 | 1 | 52 | 276.404 | 8 | ↓ |
| Lo Low (pH 4.5-6) | 1.82 | 8.18 | -122.12 | 3 | 4 | 2 | 53 | 277.412 | 8 | ↓ |
