In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 17th, 2009 | 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) | 2.51 | 10.66 | -55.09 | 0 | 7 | -1 | 92 | 443.479 | 8 | ↓ |
Lo Low (pH 4.5-6) | 2.51 | 9.37 | -20.66 | 1 | 7 | 0 | 89 | 444.487 | 8 | ↓ |