| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 20th, 2010 | 39 | 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) | 5.05 | 13.74 | -54.97 | 2 | 5 | 1 | 62 | 533.777 | 1 | ↓ |
| Hi High (pH 8-9.5) | 5.05 | 12.16 | -70.87 | 0 | 5 | -1 | 64 | 531.761 | 1 | ↓ |
| Mid Mid (pH 6-8) | 5.05 | 11.36 | -17.36 | 1 | 5 | 0 | 61 | 532.769 | 1 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
