| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 13th, 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) | 3.63 | 11.35 | -120.79 | 0 | 8 | -2 | 119 | 461.47 | 6 | ↓ |
| Mid Mid (pH 6-8) | 3.04 | 10.56 | -64.83 | 0 | 8 | -1 | 113 | 462.478 | 6 | ↓ |
| Mid Mid (pH 6-8) | 3.63 | 8.96 | -71.11 | 1 | 8 | -1 | 116 | 462.478 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
