In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 12th, 2008 | 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) | 5.06 | 14.07 | -21.77 | 1 | 6 | 0 | 77 | 458.949 | 6 | ↓ |
Hi High (pH 8-9.5) | 5.24 | 12.37 | -61.59 | 0 | 6 | -1 | 83 | 457.941 | 6 | ↓ |