| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 14th, 2010 | 17 | 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) | 0.23 | 7.19 | -13.65 | 2 | 5 | 0 | 62 | 227.271 | 3 | ↓ |
| Mid Mid (pH 6-8) | 0.23 | 7.71 | -44.87 | 3 | 5 | 1 | 63 | 228.279 | 3 | ↓ |
| Mid Mid (pH 6-8) | 0.23 | 7.68 | -41.31 | 3 | 5 | 1 | 63 | 228.279 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 0.23 | 8.19 | -89.83 | 4 | 5 | 2 | 64 | 229.287 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
