In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 14th, 2010 | 33 | No |
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) | 3.09 | 4.8 | -26.45 | 1 | 10 | 0 | 142 | 480.38 | 6 | ↓ |
Mid Mid (pH 6-8) | 3.09 | 5.79 | -45.33 | 0 | 10 | -1 | 145 | 479.372 | 6 | ↓ |
Mid Mid (pH 6-8) | 3.09 | 5.77 | -46.39 | 0 | 10 | -1 | 145 | 479.372 | 6 | ↓ |