| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 11th, 2008 | 32 | 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) | -0.87 | -1.65 | -26.73 | 6 | 10 | 0 | 184 | 443.432 | 2 | ↓ |
| Hi High (pH 8-9.5) | -0.43 | 1.59 | -100.24 | 6 | 10 | 0 | 188 | 443.432 | 2 | ↓ |
| Hi High (pH 8-9.5) | -0.43 | -0.51 | -71.63 | 5 | 10 | 0 | 187 | 442.424 | 2 | ↓ |
| Mid Mid (pH 6-8) | -0.87 | 1.54 | -131.46 | 6 | 10 | -1 | 188 | 443.432 | 2 | ↓ |
| Mid Mid (pH 6-8) | -0.87 | -0.57 | -137.22 | 5 | 10 | -2 | 187 | 442.424 | 2 | ↓ |
| Mid Mid (pH 6-8) | -1.46 | 2 | -82.59 | 6 | 10 | 0 | 182 | 444.44 | 2 | ↓ |
| Mid Mid (pH 6-8) | -0.87 | 0.64 | -59.17 | 7 | 10 | 0 | 186 | 444.44 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.