In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 19th, 2008 | 35 | No |
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) | 2.42 | 7.79 | -19.76 | 1 | 8 | 0 | 90 | 512.916 | 6 | ↓ |
Lo Low (pH 4.5-6) | 2.42 | 9.97 | -62.9 | 2 | 8 | 1 | 91 | 513.924 | 6 | ↓ |
Lo Low (pH 4.5-6) | 2.42 | 9.94 | -62.73 | 2 | 8 | 1 | 91 | 513.924 | 6 | ↓ |
Lo Low (pH 4.5-6) | 2.42 | 9.94 | -62.61 | 2 | 8 | 1 | 91 | 513.924 | 6 | ↓ |