| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 10th, 2011 | 28 | 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) | 1.95 | 9.74 | -62.09 | 2 | 6 | 1 | 67 | 380.468 | 3 | ↓ |
| Hi High (pH 8-9.5) | 2.87 | 6.23 | -51.29 | 0 | 6 | -1 | 69 | 378.452 | 3 | ↓ |
| Mid Mid (pH 6-8) | 2.87 | 8.54 | -72.12 | 1 | 6 | 0 | 70 | 379.46 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
