In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
February 3rd, 2009 | 35 | Yes |
None
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) | 6.66 | 11.11 | -47.29 | 3 | 5 | 1 | 71 | 490.645 | 9 | ↓ |
Hi High (pH 8-9.5) | 6.66 | 8.98 | -16.9 | 2 | 5 | 0 | 70 | 489.637 | 9 | ↓ |