| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 6th, 2010 | 21 | 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) | 0.83 | 6.73 | -119.86 | 3 | 5 | 2 | 58 | 293.411 | 3 | ↓ |
| Hi High (pH 8-9.5) | 0.83 | 5.66 | -40.77 | 2 | 5 | 1 | 54 | 292.403 | 3 | ↓ |
| Hi High (pH 8-9.5) | 0.83 | 3.15 | -8.08 | 1 | 5 | 0 | 53 | 291.395 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
