In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 4th, 2010 | 15 | Yes |
Popular Name: (2R)-1-(dimethylamino)-3-[[(2S)-tetrahydropyran-2-yl]methylamino]propan-2-ol (2R)-1-(dimethylamino)-3-[[(2S)-…
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) | 0.01 | 2.36 | -98.32 | 4 | 4 | 2 | 51 | 218.341 | 6 | ↓ |
Hi High (pH 8-9.5) | 0.01 | 0.93 | -34.4 | 3 | 4 | 1 | 46 | 217.333 | 6 | ↓ |
Mid Mid (pH 6-8) | 0.01 | 2.9 | -40.14 | 3 | 4 | 1 | 53 | 217.333 | 6 | ↓ |