In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 1st, 2007 | 32 | 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) | 5.07 | 11.39 | -62.81 | 0 | 6 | -1 | 83 | 447.536 | 7 | ↓ |
Lo Low (pH 4.5-6) | 5.07 | 10.58 | -17.49 | 1 | 6 | 0 | 80 | 448.544 | 7 | ↓ |