| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 25th, 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) | 1.69 | 2.45 | -14.02 | 5 | 6 | 0 | 107 | 279.303 | 3 | ↓ |
| Mid Mid (pH 6-8) | 1.69 | 2.87 | -33.26 | 6 | 6 | 1 | 108 | 280.311 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 1.69 | 2.55 | -81.79 | 7 | 6 | 2 | 109 | 281.319 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
