| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 24th, 2010 | 22 | No |
None
| 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) | 1.99 | 3.77 | -58.52 | 1 | 5 | -1 | 54 | 322.454 | 4 | ↓ |
| Mid Mid (pH 6-8) | 1.26 | 4.13 | -33.56 | 2 | 5 | 0 | 57 | 323.462 | 4 | ↓ |
| Mid Mid (pH 6-8) | 1.99 | 5.66 | -73.41 | 2 | 5 | 0 | 56 | 323.462 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 1.26 | 5.99 | -67.1 | 3 | 5 | 1 | 59 | 324.47 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
