| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 19th, 2013 | 62 | No |
None
| 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) | 5.38 | 14.77 | -95.57 | 5 | 14 | 2 | 160 | 856.074 | 12 | ↓ |
| Mid Mid (pH 6-8) | 5.38 | 17.5 | -185.44 | 6 | 14 | 3 | 161 | 857.082 | 12 | ↓ |
| Mid Mid (pH 6-8) | 5.38 | 12.41 | -42.58 | 4 | 14 | 1 | 159 | 855.066 | 12 | ↓ |
| Mid Mid (pH 6-8) | 5.38 | 15.11 | -119.52 | 5 | 14 | 2 | 160 | 856.074 | 12 | ↓ |
No pre-computed analogs available. Try a structural similarity search.