| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 17th, 2004 | 29 | 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) | 3.25 | -5.12 | -12.61 | 4 | 7 | 0 | 124 | 422.901 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 3.25 | -5.01 | -41.29 | 5 | 7 | 1 | 125 | 423.909 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 3.25 | -4.38 | -37.94 | 5 | 7 | 1 | 125 | 423.909 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 3.25 | -10.48 | -39.03 | 5 | 7 | 1 | 125 | 423.909 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 3.25 | -4.27 | -92.62 | 6 | 7 | 2 | 126 | 424.917 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 3.25 | -10.36 | -93.94 | 6 | 7 | 2 | 126 | 424.917 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.