In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 14th, 2009 | 37 | Yes |
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) | 5.05 | 14.19 | -17.01 | 1 | 6 | 0 | 72 | 499.655 | 9 | ↓ |
Lo Low (pH 4.5-6) | 5.05 | 14.65 | -49.56 | 2 | 6 | 1 | 73 | 500.663 | 9 | ↓ |