| 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) | 3.61 | 12.99 | -115.24 | 0 | 7 | -2 | 110 | 455.466 | 7 | ↓ |
| Mid Mid (pH 6-8) | 3.03 | 12.11 | -65.16 | 0 | 7 | -1 | 104 | 456.474 | 7 | ↓ |
| Mid Mid (pH 6-8) | 3.61 | 10.97 | -69.83 | 1 | 7 | -1 | 107 | 456.474 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
