| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 28th, 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) | 0.22 | 4.18 | -94.5 | 5 | 10 | -1 | 171 | 456.475 | 3 | ↓ |
| Hi High (pH 8-9.5) | -0.81 | 5.85 | -135.08 | 4 | 10 | -1 | 168 | 456.475 | 3 | ↓ |
| Hi High (pH 8-9.5) | -0.81 | 3.83 | -125.13 | 3 | 10 | -2 | 167 | 455.467 | 3 | ↓ |
| Hi High (pH 8-9.5) | -0.81 | 2.85 | -61.02 | 4 | 10 | -1 | 164 | 456.475 | 3 | ↓ |
| Mid Mid (pH 6-8) | -0.81 | 5.55 | -95.14 | 4 | 10 | -1 | 168 | 456.475 | 3 | ↓ |
| Mid Mid (pH 6-8) | -0.81 | 4.85 | -80.68 | 5 | 10 | 0 | 165 | 457.483 | 3 | ↓ |
| Lo Low (pH 4.5-6) | -0.81 | 2.4 | -64.78 | 6 | 10 | 1 | 163 | 458.491 | 3 | ↓ |
