| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 1st, 2008 | 35 | 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) | 7.24 | 12.27 | -13.21 | 1 | 6 | 0 | 73 | 512.99 | 8 | ↓ |
| Ref Reference (pH 7) | 7.24 | 12.68 | -14.03 | 1 | 6 | 0 | 73 | 512.99 | 8 | ↓ |
| Mid Mid (pH 6-8) | 6.74 | 12.14 | -44.6 | 0 | 6 | -1 | 72 | 511.982 | 9 | ↓ |
| Lo Low (pH 4.5-6) | 6.74 | 12.63 | -20.71 | 1 | 6 | 0 | 70 | 512.99 | 9 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
