| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 6th, 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) | 1.34 | 5.02 | -129.3 | 3 | 4 | 2 | 55 | 294.42 | 2 | ↓ |
| Hi High (pH 8-9.5) | 1.34 | 1.81 | -11.5 | 1 | 4 | 0 | 49 | 292.404 | 2 | ↓ |
| Mid Mid (pH 6-8) | 1.34 | 4.29 | -48.52 | 2 | 4 | 1 | 51 | 293.412 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
