In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 8th, 2008 | 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) | 3.36 | 9.2 | -37.33 | 1 | 6 | 1 | 52 | 400.543 | 7 | ↓ |
Lo Low (pH 4.5-6) | 3.36 | 11.66 | -81.87 | 2 | 6 | 2 | 53 | 401.551 | 7 | ↓ |