| 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) | -0.23 | 3.14 | -51.54 | 6 | 10 | 0 | 169 | 457.483 | 3 | ↓ |
| Ref Reference (pH 7) | -0.96 | -0.29 | -16.69 | 6 | 10 | 0 | 165 | 457.483 | 2 | ↓ |
| Hi High (pH 8-9.5) | -0.23 | 1.96 | -133.9 | 4 | 10 | -2 | 170 | 455.467 | 3 | ↓ |
| Mid Mid (pH 6-8) | -0.23 | 0.95 | -49.43 | 5 | 10 | -1 | 167 | 456.475 | 3 | ↓ |
| Mid Mid (pH 6-8) | -0.81 | 4.89 | -62.49 | 5 | 10 | 0 | 165 | 457.483 | 3 | ↓ |
| Mid Mid (pH 6-8) | -0.81 | 5.46 | -101.9 | 4 | 10 | -1 | 168 | 456.475 | 3 | ↓ |
| Mid Mid (pH 6-8) | -0.96 | 2.99 | -81.72 | 6 | 10 | 0 | 169 | 457.483 | 2 | ↓ |
| Mid Mid (pH 6-8) | -0.23 | 4.05 | -126.26 | 5 | 10 | -1 | 171 | 456.475 | 3 | ↓ |
| Lo Low (pH 4.5-6) | -0.96 | 1.84 | -54.71 | 7 | 10 | 1 | 166 | 458.491 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.