In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 22nd, 2010 | 30 | 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) | 3.20 | 6.71 | -63.84 | 1 | 6 | -1 | 90 | 432.855 | 8 | ↓ |
Lo Low (pH 4.5-6) | 3.20 | 5.96 | -14.63 | 2 | 6 | 0 | 87 | 433.863 | 8 | ↓ |