In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 14th, 2011 | 40 | 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) | 8.00 | 15.42 | -12.94 | 2 | 6 | 0 | 65 | 577.556 | 8 | ↓ |
Hi High (pH 8-9.5) | 8.17 | 13.85 | -55.17 | 1 | 6 | -1 | 71 | 576.548 | 8 | ↓ |
Hi High (pH 8-9.5) | 8.17 | 13.82 | -56.48 | 1 | 6 | -1 | 71 | 576.548 | 8 | ↓ |
Lo Low (pH 4.5-6) | 8.00 | 16.21 | -27.31 | 3 | 6 | 0 | 66 | 578.564 | 8 | ↓ |