| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 14th, 2011 | 12 | 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) | 1.48 | 0.67 | -44.98 | 2 | 3 | 1 | 39 | 185.272 | 3 | ↓ |
| Mid Mid (pH 6-8) | 1.48 | -1.04 | -6.07 | 1 | 3 | 0 | 34 | 184.264 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 1.48 | 1.67 | -90.33 | 3 | 3 | 2 | 40 | 186.28 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
