| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 19th, 2008 | 34 | 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) | 1.77 | 5.78 | -47.43 | 1 | 9 | -1 | 101 | 483.57 | 7 | ↓ |
| Mid Mid (pH 6-8) | 1.31 | 6.2 | -20.5 | 2 | 9 | 0 | 98 | 484.578 | 7 | ↓ |
| Lo Low (pH 4.5-6) | 1.31 | 8.17 | -64.37 | 3 | 9 | 1 | 99 | 485.586 | 7 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
