| 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 | 0.39 | -104.28 | 6 | 11 | -1 | 197 | 456.431 | 3 | ↓ |
| Hi High (pH 8-9.5) | -0.85 | 1.06 | -197.17 | 5 | 11 | -2 | 200 | 455.423 | 3 | ↓ |
| Hi High (pH 8-9.5) | -1.30 | -0.64 | -139.7 | 5 | 11 | -2 | 196 | 455.423 | 3 | ↓ |
| Mid Mid (pH 6-8) | -1.88 | 0.37 | -66.42 | 6 | 11 | 0 | 191 | 457.439 | 3 | ↓ |
| Mid Mid (pH 6-8) | -1.88 | 1.03 | -115.63 | 5 | 11 | -1 | 194 | 456.431 | 3 | ↓ |
| Mid Mid (pH 6-8) | -1.88 | 1.09 | -92.52 | 5 | 11 | -1 | 194 | 456.431 | 3 | ↓ |
| Mid Mid (pH 6-8) | -1.88 | 1.75 | -168.41 | 4 | 11 | -2 | 197 | 455.423 | 3 | ↓ |
| Mid Mid (pH 6-8) | -1.30 | 1.54 | -120.22 | 6 | 11 | -1 | 197 | 456.431 | 3 | ↓ |
