| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 11th, 2008 | 31 | 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) | 3.94 | 8.26 | -10.9 | 2 | 6 | 0 | 82 | 430.895 | 4 | ↓ |
| Hi High (pH 8-9.5) | 3.91 | 9.47 | -42.2 | 0 | 6 | -1 | 81 | 429.887 | 4 | ↓ |
| Hi High (pH 8-9.5) | 3.91 | 9.01 | -51.76 | 0 | 6 | -1 | 81 | 429.887 | 4 | ↓ |
| Hi High (pH 8-9.5) | 3.94 | 9.24 | -35.49 | 1 | 6 | -1 | 85 | 429.887 | 4 | ↓ |
| Mid Mid (pH 6-8) | 3.94 | 9.03 | -48.4 | 1 | 6 | -1 | 85 | 429.887 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 3.94 | 9.44 | -37.32 | 3 | 6 | 1 | 83 | 431.903 | 4 | ↓ |
