In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 3rd, 2010 | 21 | Yes |
Popular Name: (2S)-1-(4-chlorophenoxy)-3-[[(1R)-2-(diethylamino)-1-methyl-ethyl]amino]propan-2-ol (2S)-1-(4-chlorophenoxy)-3-[[(1R…
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) | 2.92 | 4.54 | -41.26 | 3 | 4 | 1 | 49 | 315.865 | 10 | ↓ |
Mid Mid (pH 6-8) | 2.92 | 6.58 | -34.84 | 3 | 4 | 1 | 46 | 315.865 | 10 | ↓ |
Lo Low (pH 4.5-6) | 2.92 | 6.58 | -118.66 | 4 | 4 | 2 | 51 | 316.873 | 10 | ↓ |