| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 24th, 2009 | 12 | 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) | 2.12 | 5.63 | -33.94 | 4 | 3 | 1 | 56 | 245.125 | 1 | ↓ |
| Hi High (pH 8-9.5) | 2.12 | 5.15 | -7.26 | 3 | 3 | 0 | 55 | 244.117 | 1 | ↓ |
| Hi High (pH 8-9.5) | 2.12 | 5.13 | -5.55 | 3 | 3 | 0 | 55 | 244.117 | 1 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
