In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 1st, 2009 | 34 | 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) | 6.05 | 14.29 | -56.23 | 0 | 5 | -1 | 73 | 471.533 | 4 | ↓ |
Lo Low (pH 4.5-6) | 6.05 | 13.4 | -12.33 | 1 | 5 | 0 | 71 | 472.541 | 4 | ↓ |