| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 22nd, 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) | 3.33 | 10.8 | -117.34 | 3 | 2 | 2 | 21 | 274.452 | 7 | ↓ |
| Mid Mid (pH 6-8) | 3.33 | 8.87 | -36.57 | 2 | 2 | 1 | 20 | 273.444 | 7 | ↓ |
| Mid Mid (pH 6-8) | 3.33 | 9.38 | -33.03 | 2 | 2 | 1 | 16 | 273.444 | 7 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
