In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 17th, 2008 | 15 | Yes |
Popular Name: (2R)-1-[(2R)-4-[(2R)-2-hydroxypropyl]-2-methyl-piperazin-1-yl]propan-2-ol (2R)-1-[(2R)-4-[(2R)-2-hydroxypr…
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 | -3.17 | -7.17 | 2 | 4 | 0 | 47 | 216.325 | 4 | ↓ |
Mid Mid (pH 6-8) | 0.03 | -0.84 | -30.56 | 3 | 4 | 1 | 48 | 217.333 | 4 | ↓ |
Mid Mid (pH 6-8) | 0.03 | -0.76 | -32.32 | 3 | 4 | 1 | 48 | 217.333 | 4 | ↓ |
Lo Low (pH 4.5-6) | 0.03 | 1.55 | -100.41 | 4 | 4 | 2 | 49 | 218.341 | 4 | ↓ |