In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
January 29th, 2009 | 15 | 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) | 0.33 | 1.24 | -33.25 | 2 | 4 | 1 | 37 | 217.333 | 6 | ↓ |
Lo Low (pH 4.5-6) | 0.33 | 3.72 | -101.14 | 3 | 4 | 2 | 38 | 218.341 | 6 | ↓ |