| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 24th, 2009 | 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) | 4.01 | 3.25 | -44.75 | 3 | 3 | 1 | 40 | 283.48 | 2 | ↓ |
| Mid Mid (pH 6-8) | 4.01 | 5.91 | -122.21 | 4 | 3 | 2 | 41 | 284.488 | 2 | ↓ |
| Lo Low (pH 4.5-6) | 4.01 | 4.55 | -29.02 | 3 | 3 | 1 | 37 | 283.48 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
