| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 9th, 2010 | 20 | 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) | 2.77 | 7.84 | -40.67 | 2 | 4 | 1 | 46 | 292.428 | 4 | ↓ |
| Hi High (pH 8-9.5) | 2.77 | 6.42 | -6.67 | 1 | 4 | 0 | 41 | 291.42 | 4 | ↓ |
| Mid Mid (pH 6-8) | 2.77 | 8.22 | -90.26 | 3 | 4 | 2 | 47 | 293.436 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
