| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 23rd, 2008 | 29 | 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) | 1.37 | 8.22 | -69.11 | 1 | 7 | 0 | 83 | 400.454 | 6 | ↓ |
| Hi High (pH 8-9.5) | 1.37 | 5.68 | -58.33 | 0 | 7 | -1 | 82 | 399.446 | 6 | ↓ |
| Mid Mid (pH 6-8) | 1.81 | 7.16 | -64.06 | 2 | 7 | 1 | 80 | 401.462 | 5 | ↓ |
| Mid Mid (pH 6-8) | 0.78 | 8.08 | -56.87 | 1 | 7 | 1 | 77 | 401.462 | 6 | ↓ |
