| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 26th, 2010 | 20 | Yes |
| 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) | 0.39 | 3.41 | -32.84 | 3 | 6 | 1 | 77 | 272.332 | 3 | ↓ |
| Mid Mid (pH 6-8) | 0.39 | 5.59 | -86.27 | 4 | 6 | 2 | 78 | 273.34 | 3 | ↓ |
| Mid Mid (pH 6-8) | 0.39 | 3.41 | -33.99 | 3 | 6 | 1 | 77 | 272.332 | 3 | ↓ |
| Mid Mid (pH 6-8) | 0.39 | 2.95 | -11.8 | 2 | 6 | 0 | 75 | 271.324 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
