In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 13th, 2010 | 16 | Yes |
Popular Name: (2S)-1-(dimethylamino)-3-(1,1,3,3-tetramethylbutylamino)propan-2-ol (2S)-1-(dimethylamino)-3-(1,1,3,…
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) | 2.27 | 5.15 | -95.2 | 4 | 3 | 2 | 41 | 232.412 | 7 | ↓ |
Hi High (pH 8-9.5) | 2.27 | 2.61 | -32.37 | 3 | 3 | 1 | 40 | 231.404 | 7 | ↓ |
Hi High (pH 8-9.5) | 2.27 | 5.71 | -35.54 | 3 | 3 | 1 | 44 | 231.404 | 7 | ↓ |