| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 20th, 2010 | 18 | 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) | 3.44 | 9.61 | -118.52 | 3 | 2 | 2 | 21 | 248.414 | 5 | ↓ |
| Mid Mid (pH 6-8) | 3.44 | 8.3 | -39.99 | 2 | 2 | 1 | 20 | 247.406 | 5 | ↓ |
| Mid Mid (pH 6-8) | 3.44 | 8.25 | -32.85 | 2 | 2 | 1 | 16 | 247.406 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
