| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 7th, 2009 | 22 | Yes |
| 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) | 1.00 | 5.72 | -58.57 | 2 | 8 | -1 | 112 | 296.266 | 2 | ↓ |
| Hi High (pH 8-9.5) | 1.07 | 4.03 | -131.33 | 1 | 8 | -2 | 118 | 295.258 | 2 | ↓ |
| Mid Mid (pH 6-8) | 1.00 | 4.92 | -22.66 | 3 | 8 | 0 | 109 | 297.274 | 2 | ↓ |
| Mid Mid (pH 6-8) | 1.00 | 6.77 | -110.47 | 1 | 8 | -2 | 110 | 295.258 | 2 | ↓ |
| Mid Mid (pH 6-8) | 0.00 | 6.62 | -51.18 | 1 | 8 | -1 | 102 | 296.266 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.