| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 1st, 2008 | 17 | 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) | 3.20 | 7.01 | -10.27 | 0 | 3 | 0 | 53 | 226.279 | 2 | ↓ |
| Hi High (pH 8-9.5) | 3.52 | 6.89 | -34.41 | 0 | 3 | -1 | 60 | 225.271 | 2 | ↓ |
| Mid Mid (pH 6-8) | 2.22 | 7.3 | -20.92 | 1 | 3 | 0 | 57 | 226.279 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
