| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 30th, 2008 | 29 | 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) | 5.25 | 8.06 | -12.35 | 2 | 5 | 0 | 67 | 390.414 | 6 | ↓ |
| Hi High (pH 8-9.5) | 5.25 | 8.85 | -44.28 | 1 | 5 | -1 | 70 | 389.406 | 6 | ↓ |
| Hi High (pH 8-9.5) | 4.88 | 9 | -56.14 | 0 | 5 | -1 | 66 | 389.406 | 6 | ↓ |
| Hi High (pH 8-9.5) | 4.88 | 9.01 | -56.09 | 0 | 5 | -1 | 66 | 389.406 | 6 | ↓ |
| Hi High (pH 8-9.5) | 5.25 | 8.84 | -55.67 | 1 | 5 | -1 | 70 | 389.406 | 6 | ↓ |
| Mid Mid (pH 6-8) | 5.25 | 8.09 | -10.72 | 2 | 5 | 0 | 67 | 390.414 | 6 | ↓ |
