In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 13th, 2010 | 15 | Yes |
Popular Name: (2S)-1-(dimethylamino)-3-[[2-(dimethylamino)-2-methyl-propyl]amino]propan-2-ol (2S)-1-(dimethylamino)-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) | -0.03 | 4.22 | -102.09 | 4 | 4 | 2 | 49 | 219.373 | 7 | ↓ |
Hi High (pH 8-9.5) | -0.03 | -1.01 | -36.49 | 3 | 4 | 1 | 43 | 218.365 | 7 | ↓ |
Mid Mid (pH 6-8) | -0.03 | 3.61 | -187.45 | 5 | 4 | 3 | 46 | 220.381 | 7 | ↓ |
Mid Mid (pH 6-8) | -0.03 | 2.47 | -79.16 | 4 | 4 | 2 | 41 | 219.373 | 7 | ↓ |