| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 9th, 2004 | 35 | 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) | 4.74 | 16.13 | -14.36 | 0 | 4 | 0 | 68 | 468.593 | 3 | ↓ |
| Mid Mid (pH 6-8) | 5.91 | 14.08 | -112.4 | 0 | 4 | -2 | 80 | 466.577 | 3 | ↓ |
| Mid Mid (pH 6-8) | 5.91 | 13.13 | -46.36 | 1 | 4 | -1 | 77 | 467.585 | 3 | ↓ |
| Mid Mid (pH 6-8) | 5.33 | 15.22 | -49.61 | 0 | 4 | -1 | 74 | 467.585 | 3 | ↓ |
| Mid Mid (pH 6-8) | 5.91 | 13.37 | -44.04 | 1 | 4 | -1 | 77 | 467.585 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 5.33 | 15.44 | -50.97 | 0 | 4 | -1 | 74 | 467.585 | 3 | ↓ |
