In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 2nd, 2009 | 21 | Yes |
Popular Name: (2S)-1-[[3-(dimethylamino)-2,2-dimethyl-propyl]amino]-3-(4-methylphenoxy)propan-2-ol (2S)-1-[[3-(dimethylamino)-2,2-d…
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) | 2.42 | 6.65 | -103.61 | 4 | 4 | 2 | 51 | 296.455 | 9 | ↓ |
Hi High (pH 8-9.5) | 2.42 | 5.47 | -37.11 | 3 | 4 | 1 | 46 | 295.447 | 9 | ↓ |