In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 24th, 2009 | 33 | 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) | 6.92 | 15.15 | -46.58 | 3 | 5 | 1 | 53 | 453.695 | 10 | ↓ |
Hi High (pH 8-9.5) | 6.92 | 13.01 | -10.77 | 2 | 5 | 0 | 51 | 452.687 | 10 | ↓ |