| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 14th, 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) | 1.49 | 5.99 | -44.66 | 2 | 4 | 1 | 42 | 221.328 | 4 | ↓ |
| Mid Mid (pH 6-8) | 1.49 | 6.17 | -87.4 | 3 | 4 | 2 | 43 | 222.336 | 4 | ↓ |
| Mid Mid (pH 6-8) | 1.49 | 6.16 | -85.47 | 3 | 4 | 2 | 43 | 222.336 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
