| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 20th, 2009 | 28 | 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) | 3.23 | 5.12 | -53.73 | 2 | 6 | 1 | 66 | 377.468 | 2 | ↓ |
| Ref Reference (pH 7) | 3.23 | 3.49 | -29.32 | 2 | 6 | 1 | 66 | 377.468 | 2 | ↓ |
| Hi High (pH 8-9.5) | 3.68 | 3.25 | -54.78 | 1 | 6 | 0 | 69 | 376.46 | 2 | ↓ |
| Mid Mid (pH 6-8) | 3.23 | 5.17 | -33.52 | 2 | 6 | 1 | 66 | 377.468 | 2 | ↓ |
| Lo Low (pH 4.5-6) | 3.23 | 5.87 | -92.54 | 3 | 6 | 2 | 68 | 378.476 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
