| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 9th, 2010 | 21 | 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) | 2.39 | 7.51 | -45.63 | 3 | 3 | 1 | 44 | 322.523 | 3 | ↓ |
| Hi High (pH 8-9.5) | 2.39 | 7.18 | -6.15 | 2 | 3 | 0 | 42 | 321.515 | 3 | ↓ |
| Mid Mid (pH 6-8) | 2.39 | 7.82 | -97.47 | 4 | 3 | 2 | 45 | 323.531 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
