In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 2nd, 2011 | 36 | 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) | 0.68 | 10.49 | -28.77 | 1 | 14 | 0 | 159 | 513.54 | 6 | ↓ |
Lo Low (pH 4.5-6) | 0.68 | 10.92 | -50.58 | 2 | 14 | 1 | 160 | 514.548 | 6 | ↓ |