| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 8th, 2008 | 33 | 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) | 3.48 | 10.38 | -67.98 | 1 | 7 | 0 | 83 | 472.969 | 10 | ↓ |
| Hi High (pH 8-9.5) | 3.48 | 8.06 | -57.15 | 0 | 7 | -1 | 82 | 471.961 | 10 | ↓ |
| Mid Mid (pH 6-8) | 3.93 | 9.22 | -58.06 | 2 | 7 | 1 | 81 | 473.977 | 9 | ↓ |
| Mid Mid (pH 6-8) | 2.90 | 10.19 | -61.07 | 1 | 7 | 1 | 77 | 473.977 | 10 | ↓ |
