| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 21st, 2010 | 18 | 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) | 1.17 | 5.21 | -42.69 | 2 | 3 | 1 | 29 | 249.378 | 6 | ↓ |
| Mid Mid (pH 6-8) | 1.17 | 7.42 | -122.85 | 3 | 3 | 2 | 30 | 250.386 | 6 | ↓ |
| Mid Mid (pH 6-8) | 1.17 | 6.06 | -36.63 | 2 | 3 | 1 | 26 | 249.378 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
