| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 29th, 2009 | 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) | -0.05 | 4.05 | -90.35 | 4 | 6 | 2 | 76 | 273.34 | 3 | ↓ |
| Mid Mid (pH 6-8) | -0.05 | 3.95 | -51.46 | 3 | 6 | 1 | 75 | 272.332 | 3 | ↓ |
| Mid Mid (pH 6-8) | -0.05 | 2.66 | -11 | 2 | 6 | 0 | 70 | 271.324 | 3 | ↓ |
| Mid Mid (pH 6-8) | -0.05 | 2.76 | -31.87 | 3 | 6 | 1 | 71 | 272.332 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
