In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 18th, 2011 | 29 | 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) | 0.82 | 5.09 | -54.72 | 2 | 8 | -1 | 109 | 395.439 | 4 | ↓ |
Lo Low (pH 4.5-6) | 0.82 | 3.14 | -13.15 | 3 | 8 | 0 | 106 | 396.447 | 4 | ↓ |