| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 19th, 2010 | 19 | 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) | 2.14 | 2.38 | -45.14 | 3 | 4 | 1 | 49 | 330.246 | 6 | ↓ |
| Hi High (pH 8-9.5) | 2.14 | 3.22 | -33.38 | 2 | 4 | 0 | 52 | 329.238 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 2.14 | 4.66 | -111.33 | 4 | 4 | 2 | 51 | 331.254 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
