| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 12th, 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) | 2.74 | 13.49 | -47.49 | 1 | 7 | 1 | 57 | 460.4 | 3 | ↓ |
| Hi High (pH 8-9.5) | 2.74 | 8.35 | -37.24 | 1 | 7 | 1 | 57 | 460.4 | 3 | ↓ |
| Hi High (pH 8-9.5) | 2.74 | 8.08 | -12.63 | 0 | 7 | 0 | 56 | 459.392 | 3 | ↓ |
| Mid Mid (pH 6-8) | 2.74 | 10.83 | -92.49 | 2 | 7 | 2 | 58 | 461.408 | 3 | ↓ |
| Mid Mid (pH 6-8) | 2.74 | 10.82 | -107.44 | 2 | 7 | 2 | 58 | 461.408 | 3 | ↓ |
