In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
January 5th, 2010 | 25 | 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) | 7.33 | 16.58 | -133.18 | 0 | 4 | -2 | 80 | 350.499 | 16 | ↓ |
Lo Low (pH 4.5-6) | 7.33 | 14.45 | -49.2 | 1 | 4 | -1 | 77 | 351.507 | 16 | ↓ |
Lo Low (pH 4.5-6) | 7.33 | 14.6 | -55.61 | 1 | 4 | -1 | 77 | 351.507 | 16 | ↓ |