In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 11th, 2009 | 20 | 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) | 2.81 | 6.67 | -37.86 | 2 | 4 | 1 | 46 | 297.806 | 5 | ↓ |
Hi High (pH 8-9.5) | 2.81 | 4.83 | -8.31 | 1 | 4 | 0 | 45 | 296.798 | 5 | ↓ |