In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 3rd, 2008 | 34 | 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) | 4.40 | 8.98 | -19.82 | 2 | 7 | 0 | 94 | 485.964 | 7 | ↓ |
Hi High (pH 8-9.5) | 4.40 | 9.78 | -60.37 | 1 | 7 | -1 | 97 | 484.956 | 7 | ↓ |