In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 24th, 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) | 4.42 | 11.26 | -55.19 | 3 | 6 | 1 | 80 | 470.659 | 11 | ↓ |
Hi High (pH 8-9.5) | 4.87 | 8.96 | -43.83 | 2 | 6 | 0 | 83 | 469.651 | 11 | ↓ |
Hi High (pH 8-9.5) | 4.42 | 8.93 | -16.43 | 2 | 6 | 0 | 78 | 469.651 | 11 | ↓ |