| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 14th, 2009 | 33 | 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) | -0.85 | 1.94 | -114.67 | 6 | 11 | -1 | 197 | 456.431 | 3 | ↓ |
| Hi High (pH 8-9.5) | -1.30 | -0.04 | -139.58 | 5 | 11 | -2 | 196 | 455.423 | 3 | ↓ |
| Mid Mid (pH 6-8) | -1.88 | 1.8 | -79.46 | 6 | 11 | 0 | 191 | 457.439 | 3 | ↓ |
| Mid Mid (pH 6-8) | -1.88 | 2.47 | -132.98 | 5 | 11 | -1 | 194 | 456.431 | 3 | ↓ |
| Mid Mid (pH 6-8) | -1.88 | 2.01 | -103.48 | 5 | 11 | -1 | 194 | 456.431 | 3 | ↓ |
| Mid Mid (pH 6-8) | -1.88 | 2.68 | -181.05 | 4 | 11 | -2 | 197 | 455.423 | 3 | ↓ |
| Mid Mid (pH 6-8) | -1.30 | 1.48 | -122.94 | 6 | 11 | -1 | 197 | 456.431 | 3 | ↓ |
