| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 22nd, 2006 | 28 | 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) | 2.50 | 3.59 | -13.49 | 3 | 7 | 0 | 99 | 379.416 | 6 | ↓ |
| Hi High (pH 8-9.5) | 2.47 | 3.84 | -58.71 | 1 | 7 | -1 | 98 | 378.408 | 6 | ↓ |
| Hi High (pH 8-9.5) | 2.47 | 4.04 | -47.51 | 1 | 7 | -1 | 98 | 378.408 | 6 | ↓ |
| Hi High (pH 8-9.5) | 2.50 | 4.49 | -49.24 | 2 | 7 | -1 | 102 | 378.408 | 6 | ↓ |
| Mid Mid (pH 6-8) | 2.50 | 4.36 | -54.41 | 2 | 7 | -1 | 102 | 378.408 | 6 | ↓ |
