| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 15th, 2010 | 28 | 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) | 3.98 | 7.72 | -14.2 | 3 | 7 | 0 | 111 | 379.416 | 4 | ↓ |
| Mid Mid (pH 6-8) | 3.98 | 8.48 | -37.06 | 2 | 7 | -1 | 114 | 378.408 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
