In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 1st, 2009 | 38 | 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) | 4.33 | 12.06 | -55.64 | 0 | 7 | -1 | 92 | 517.577 | 11 | ↓ |
Lo Low (pH 4.5-6) | 4.33 | 11.32 | -16.25 | 1 | 7 | 0 | 89 | 518.585 | 11 | ↓ |
Lo Low (pH 4.5-6) | 4.33 | 11.79 | -46.73 | 2 | 7 | 1 | 90 | 519.593 | 11 | ↓ |