In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 3rd, 2008 | 30 | Yes |
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) | 2.51 | 7.46 | -26.61 | 2 | 7 | 0 | 101 | 446.529 | 8 | ↓ |
Hi High (pH 8-9.5) | 2.70 | 6.4 | -48.25 | 1 | 7 | -1 | 107 | 445.521 | 8 | ↓ |