In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 25th, 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) | 3.40 | 8.31 | -50.26 | 2 | 8 | 1 | 85 | 450.563 | 9 | ↓ |
Hi High (pH 8-9.5) | 3.40 | 5.91 | -12.98 | 1 | 8 | 0 | 84 | 449.555 | 9 | ↓ |