| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 14th, 2010 | 17 | 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) | -0.66 | 1.66 | -93.2 | 5 | 6 | 2 | 87 | 237.307 | 4 | ↓ |
| Hi High (pH 8-9.5) | -0.66 | -0.71 | -14.51 | 3 | 6 | 0 | 84 | 235.291 | 4 | ↓ |
| Mid Mid (pH 6-8) | -0.66 | 1.66 | -91.97 | 5 | 6 | 2 | 87 | 237.307 | 4 | ↓ |
| Mid Mid (pH 6-8) | -0.66 | 1.49 | -51.17 | 4 | 6 | 1 | 85 | 236.299 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
