| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 7th, 2010 | 30 | 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) | -0.64 | 8.53 | -59.85 | 2 | 8 | -1 | 113 | 417.392 | 6 | ↓ |
| Lo Low (pH 4.5-6) | -0.64 | 6.83 | -59.98 | 4 | 8 | 1 | 112 | 419.408 | 6 | ↓ |
| Lo Low (pH 4.5-6) | -0.64 | 8.84 | -101.24 | 3 | 8 | 0 | 115 | 418.4 | 6 | ↓ |
| Lo Low (pH 4.5-6) | -0.64 | 6.51 | -12.32 | 3 | 8 | 0 | 110 | 418.4 | 6 | ↓ |
| Lo Low (pH 4.5-6) | -3.39 | 6.64 | -87.72 | 4 | 8 | 1 | 118 | 419.408 | 5 | ↓ |
| Lo Low (pH 4.5-6) | -3.39 | 6.34 | -27.65 | 3 | 8 | 0 | 116 | 418.4 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
