| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 3rd, 2010 | 18 | Yes |
Popular Name: 4-[[[(1R)-2-(diethylamino)-1-methyl-ethyl]amino]methyl]benzene-1,3-diol 4-[[[(1R)-2-(diethylamino)-1-met…
| 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) | 2.05 | 1.35 | -36.72 | 4 | 4 | 1 | 60 | 253.366 | 7 | ↓ |
| Mid Mid (pH 6-8) | 2.05 | 3.09 | -33.02 | 4 | 4 | 1 | 57 | 253.366 | 7 | ↓ |
| Lo Low (pH 4.5-6) | 2.05 | 2.79 | -112.88 | 5 | 4 | 2 | 61 | 254.374 | 7 | ↓ |
