In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 2nd, 2009 | 35 | 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) | 2.01 | 8.75 | -84.58 | 3 | 9 | 0 | 126 | 481.549 | 11 | ↓ |
Lo Low (pH 4.5-6) | 2.01 | 7.87 | -60.73 | 4 | 9 | 1 | 124 | 482.557 | 11 | ↓ |