| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 12th, 2011 | 11 | 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) | -0.14 | -0.24 | -7.24 | 4 | 5 | 0 | 83 | 149.157 | 1 | ↓ |
| Mid Mid (pH 6-8) | -0.14 | -0.2 | -9.34 | 4 | 5 | 0 | 83 | 149.157 | 1 | ↓ |
| Mid Mid (pH 6-8) | -0.14 | -0.19 | -10.56 | 4 | 5 | 0 | 83 | 149.157 | 1 | ↓ |
| Lo Low (pH 4.5-6) | -0.14 | -0.07 | -29.86 | 5 | 5 | 1 | 85 | 150.165 | 1 | ↓ |
| Lo Low (pH 4.5-6) | -0.14 | -0.11 | -32.92 | 5 | 5 | 1 | 85 | 150.165 | 1 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
