In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
February 11th, 2010 | 22 | 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) | 2.16 | 8.33 | -15.07 | 2 | 6 | 0 | 78 | 297.362 | 7 | ↓ |
Lo Low (pH 4.5-6) | 2.16 | 8.82 | -33.32 | 3 | 6 | 1 | 79 | 298.37 | 7 | ↓ |