| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 10th, 2010 | 21 | 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) | 3.34 | 5.99 | -37.65 | 2 | 4 | 1 | 40 | 294.463 | 3 | ↓ |
| Hi High (pH 8-9.5) | 3.34 | 4.9 | -7.99 | 1 | 4 | 0 | 36 | 293.455 | 3 | ↓ |
| Mid Mid (pH 6-8) | 3.34 | 7.82 | -94.23 | 3 | 4 | 2 | 41 | 295.471 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
