In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 23rd, 2010 | 28 | 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) | 2.83 | 5.76 | -56.29 | 1 | 6 | -1 | 90 | 400.838 | 6 | ↓ |
Lo Low (pH 4.5-6) | 2.83 | 5.01 | -12.46 | 2 | 6 | 0 | 87 | 401.846 | 6 | ↓ |