In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
February 3rd, 2010 | 15 | Yes |
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) | 0.69 | 6.03 | -117.83 | 3 | 3 | 2 | 34 | 209.337 | 7 | ↓ |
Mid Mid (pH 6-8) | 0.69 | 3.93 | -37.38 | 2 | 3 | 1 | 33 | 208.329 | 7 | ↓ |
Lo Low (pH 4.5-6) | 0.69 | 4.39 | -89.13 | 3 | 3 | 2 | 34 | 209.337 | 7 | ↓ |