In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 23rd, 2009 | 32 | 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) | 3.74 | 8.61 | -45.98 | 2 | 6 | 1 | 65 | 449.518 | 11 | ↓ |
Hi High (pH 8-9.5) | 3.74 | 6.37 | -11.89 | 1 | 6 | 0 | 64 | 448.51 | 11 | ↓ |