| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 14th, 2008 | 17 | No |
| 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) | 1.25 | 4.84 | -13.66 | 2 | 7 | 0 | 111 | 249.255 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 1.25 | 1.58 | -36.05 | 3 | 7 | 1 | 112 | 250.263 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 1.25 | 4.98 | -34.4 | 3 | 7 | 1 | 112 | 250.263 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 1.25 | 4.97 | -35.34 | 3 | 7 | 1 | 112 | 250.263 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 1.25 | 1.69 | -94.69 | 4 | 7 | 2 | 113 | 251.271 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 1.25 | 4.94 | -101.13 | 4 | 7 | 2 | 113 | 251.271 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
