In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 2nd, 2009 | 18 | Yes |
Popular Name: (2S)-1-(4-chlorophenoxy)-3-(2-dimethylaminoethylamino)propan-2-ol (2S)-1-(4-chlorophenoxy)-3-(2-di…
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) | 1.49 | 4.43 | -118.6 | 4 | 4 | 2 | 51 | 274.792 | 8 | ↓ |
Hi High (pH 8-9.5) | 1.49 | 0.61 | -5.35 | 2 | 4 | 0 | 45 | 272.776 | 8 | ↓ |
Mid Mid (pH 6-8) | 1.49 | 3.09 | -38.38 | 3 | 4 | 1 | 46 | 273.784 | 8 | ↓ |