| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 5th, 2008 | 31 | 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) | 2.90 | 9.36 | -76.37 | 1 | 7 | 0 | 83 | 424.497 | 8 | ↓ |
| Hi High (pH 8-9.5) | 2.90 | 6.83 | -58.33 | 0 | 7 | -1 | 82 | 423.489 | 8 | ↓ |
| Mid Mid (pH 6-8) | 3.34 | 8.2 | -61.86 | 2 | 7 | 1 | 81 | 425.505 | 7 | ↓ |
| Mid Mid (pH 6-8) | 2.31 | 9.24 | -64.08 | 1 | 7 | 1 | 77 | 425.505 | 8 | ↓ |
