In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 1st, 2009 | 34 | No |
None
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) | 3.03 | 6.93 | -119.82 | 6 | 6 | 1 | 109 | 516.631 | 14 | ↓ |
Hi High (pH 8-9.5) | 3.03 | 5.56 | -78.39 | 5 | 6 | 0 | 105 | 515.623 | 14 | ↓ |