| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 4th, 2010 | 21 | Yes |
Popular Name: 4-[(1S)-2-[2-dimethylaminoethyl(isobutyl)amino]-1-hydroxy-ethyl]benzonitrile 4-[(1S)-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) | 2.06 | 6.17 | -45.06 | 2 | 4 | 1 | 52 | 290.431 | 8 | ↓ |
| Mid Mid (pH 6-8) | 2.06 | 6.8 | -41.97 | 2 | 4 | 1 | 52 | 290.431 | 8 | ↓ |
| Lo Low (pH 4.5-6) | 2.06 | 8.68 | -122.8 | 3 | 4 | 2 | 53 | 291.439 | 8 | ↓ |
