In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 13th, 2010 | 21 | Yes |
Popular Name: (2S)-1-[[2-(dimethylamino)-2-methyl-propyl]amino]-3-(3,5-dimethylphenoxy)propan-2-ol (2S)-1-[[2-(dimethylamino)-2-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) | 2.45 | 4.24 | -42.04 | 3 | 4 | 1 | 49 | 295.447 | 8 | ↓ |
Mid Mid (pH 6-8) | 2.45 | 5.08 | -32.9 | 3 | 4 | 1 | 46 | 295.447 | 8 | ↓ |
Lo Low (pH 4.5-6) | 2.45 | 6.39 | -115.73 | 4 | 4 | 2 | 51 | 296.455 | 8 | ↓ |