| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 19th, 2008 | 25 | No |
| 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) | 3.44 | 4.25 | -16.63 | 2 | 6 | 0 | 91 | 377.853 | 4 | ↓ |
| Hi High (pH 8-9.5) | 3.44 | 5.02 | -56.36 | 1 | 6 | -1 | 94 | 376.845 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 3.44 | 4.74 | -43.14 | 3 | 6 | 1 | 93 | 378.861 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
