In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 16th, 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) | 6.07 | 9.45 | -10.66 | 2 | 6 | 0 | 81 | 471.601 | 7 | ↓ |
Lo Low (pH 4.5-6) | 6.07 | 9.79 | -53.89 | 3 | 6 | 1 | 82 | 472.609 | 7 | ↓ |