| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 31st, 2008 | 34 | No |
| 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) | 1.10 | 12.92 | -101.31 | 2 | 8 | 2 | 84 | 468.598 | 4 | ↓ |
| Hi High (pH 8-9.5) | 1.10 | 8 | -16.67 | 0 | 8 | 0 | 81 | 466.582 | 4 | ↓ |
| Hi High (pH 8-9.5) | 1.10 | 8.28 | -16.63 | 0 | 8 | 0 | 81 | 466.582 | 4 | ↓ |
| Mid Mid (pH 6-8) | 1.10 | 10.44 | -54.44 | 1 | 8 | 1 | 82 | 467.59 | 4 | ↓ |
| Mid Mid (pH 6-8) | 1.10 | 10.73 | -54.27 | 1 | 8 | 1 | 82 | 467.59 | 4 | ↓ |
