In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 13th, 2010 | 33 | 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) | 5.66 | 10.71 | -13.33 | 1 | 6 | 0 | 80 | 506.352 | 3 | ↓ |
Hi High (pH 8-9.5) | 5.66 | 11.63 | -52.4 | 0 | 6 | -1 | 83 | 505.344 | 3 | ↓ |