In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 17th, 2008 | 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) | 2.34 | 9.14 | -86.45 | 1 | 9 | 0 | 102 | 484.549 | 11 | ↓ |
Lo Low (pH 4.5-6) | 2.34 | 8.33 | -64.46 | 2 | 9 | 1 | 99 | 485.557 | 11 | ↓ |