In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 29th, 2009 | 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) | 5.73 | 10.61 | -16.3 | 2 | 6 | 0 | 84 | 496.942 | 8 | ↓ |
Hi High (pH 8-9.5) | 5.92 | 9.03 | -42.34 | 1 | 6 | -1 | 90 | 495.934 | 8 | ↓ |