| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 6th, 2012 | 27 | Yes |
None
| 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) | -0.28 | 7.05 | -44.36 | 4 | 8 | 1 | 106 | 370.481 | 5 | ↓ |
| Hi High (pH 8-9.5) | -0.28 | 6.72 | -15.46 | 3 | 8 | 0 | 104 | 369.473 | 5 | ↓ |
| Hi High (pH 8-9.5) | -0.28 | 6.8 | -12.38 | 3 | 8 | 0 | 104 | 369.473 | 5 | ↓ |
| Mid Mid (pH 6-8) | -0.28 | 7.04 | -52.12 | 4 | 8 | 1 | 106 | 370.481 | 5 | ↓ |
| Mid Mid (pH 6-8) | -0.28 | 7.72 | -85.51 | 5 | 8 | 2 | 107 | 371.489 | 5 | ↓ |
| Mid Mid (pH 6-8) | -0.28 | 7.71 | -97.33 | 5 | 8 | 2 | 107 | 371.489 | 5 | ↓ |
| Lo Low (pH 4.5-6) | -0.28 | 8.28 | -177.87 | 6 | 8 | 3 | 108 | 372.497 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.