| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 7th, 2010 | 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) | -1.95 | 4.8 | -74.36 | 6 | 10 | 0 | 182 | 468.462 | 2 | ↓ |
| Hi High (pH 8-9.5) | -1.95 | 4.22 | -34.33 | 5 | 10 | 0 | 181 | 467.454 | 2 | ↓ |
| Hi High (pH 8-9.5) | -1.95 | 5.21 | -106.68 | 4 | 10 | 0 | 184 | 466.446 | 2 | ↓ |
| Hi High (pH 8-9.5) | -1.36 | 5.64 | -105.77 | 5 | 10 | 0 | 191 | 466.446 | 2 | ↓ |
| Mid Mid (pH 6-8) | -1.95 | 5.79 | -96.45 | 5 | 10 | 0 | 185 | 467.454 | 2 | ↓ |
| Mid Mid (pH 6-8) | -1.95 | 5.94 | -46.96 | 5 | 10 | 0 | 185 | 467.454 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
