| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 5th, 2011 | 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 | 3.85 | -34.4 | 2 | 5 | 1 | 46 | 324.367 | 6 | ↓ |
| Hi High (pH 8-9.5) | 1.19 | -0.75 | -41.26 | 0 | 5 | -1 | 51 | 322.351 | 6 | ↓ |
| Hi High (pH 8-9.5) | 1.00 | 1.73 | -7.55 | 1 | 5 | 0 | 45 | 323.359 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 1.00 | 4.02 | -37.05 | 2 | 5 | 1 | 46 | 324.367 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
