In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 27th, 2010 | 38 | 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) | 8.07 | 16.53 | -64.56 | 4 | 4 | 2 | 52 | 496.658 | 9 | ↓ |
Hi High (pH 8-9.5) | 8.07 | 16.22 | -36.28 | 3 | 4 | 1 | 51 | 495.65 | 9 | ↓ |