In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 27th, 2009 | 33 | Yes |
None
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) | 1.89 | 3.29 | -58.94 | 1 | 10 | -1 | 129 | 447.475 | 6 | ↓ |
Ref Reference (pH 7) | 1.71 | 5.99 | -55.78 | 1 | 10 | -1 | 125 | 447.475 | 6 | ↓ |
Lo Low (pH 4.5-6) | 1.44 | 5.17 | -19.1 | 2 | 10 | 0 | 126 | 448.483 | 6 | ↓ |
Lo Low (pH 4.5-6) | 1.25 | 7.81 | -19.77 | 2 | 10 | 0 | 122 | 448.483 | 6 | ↓ |