In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 12th, 2008 | 37 | 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) | 1.02 | -0.69 | -56.35 | 5 | 11 | -1 | 177 | 511.507 | 7 | ↓ |
Lo Low (pH 4.5-6) | 1.02 | -0.45 | -42.32 | 6 | 11 | 0 | 179 | 512.515 | 7 | ↓ |
Lo Low (pH 4.5-6) | 1.02 | -1.47 | -49.65 | 7 | 11 | 1 | 176 | 513.523 | 7 | ↓ |