| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 3rd, 2010 | 20 | Yes |
Popular Name: 4-[(1R)-2-[[(1R)-2-(diethylamino)-1-methyl-ethyl]amino]-1-hydroxy-ethyl]benzonitrile 4-[(1R)-2-[[(1R)-2-(diethylamino…
| 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) | 1.78 | 4.76 | -45.91 | 3 | 4 | 1 | 64 | 276.404 | 8 | ↓ |
| Mid Mid (pH 6-8) | 1.78 | 6.8 | -38.59 | 3 | 4 | 1 | 60 | 276.404 | 8 | ↓ |
| Lo Low (pH 4.5-6) | 1.78 | 6.8 | -126.96 | 4 | 4 | 2 | 65 | 277.412 | 8 | ↓ |
