| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 9th, 2010 | 16 | 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) | 3.28 | 8.37 | -107.46 | 3 | 2 | 2 | 21 | 226.408 | 5 | ↓ |
| Hi High (pH 8-9.5) | 3.28 | 7.07 | -28.1 | 2 | 2 | 1 | 16 | 225.4 | 5 | ↓ |
| Mid Mid (pH 6-8) | 3.28 | 7.65 | -32.8 | 2 | 2 | 1 | 20 | 225.4 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
