In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 25th, 2010 | 39 | 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) | 2.99 | 9.32 | -55.87 | 3 | 9 | 1 | 105 | 556.083 | 13 | ↓ |
Lo Low (pH 4.5-6) | 2.99 | 11.73 | -119.59 | 4 | 9 | 2 | 106 | 557.091 | 13 | ↓ |