In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 23rd, 2008 | 31 | 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) | 3.68 | 6.82 | -89.74 | 0 | 9 | -2 | 144 | 453.716 | 4 | ↓ |
Lo Low (pH 4.5-6) | 3.68 | 5.86 | -39.9 | 1 | 9 | -1 | 141 | 454.724 | 4 | ↓ |