In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 13th, 2010 | 33 | 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) | 5.31 | 11.87 | -24.28 | 1 | 6 | 0 | 78 | 498.91 | 10 | ↓ |
Hi High (pH 8-9.5) | 5.50 | 9.62 | -52.09 | 0 | 6 | -1 | 84 | 497.902 | 10 | ↓ |