| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 16th, 2008 | 17 | No |
| 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) | 2.94 | 3.31 | -48.03 | 4 | 3 | 1 | 57 | 236.335 | 3 | ↓ |
| Hi High (pH 8-9.5) | 2.94 | 4.12 | -71.12 | 3 | 3 | 0 | 60 | 235.327 | 3 | ↓ |
| Hi High (pH 8-9.5) | 2.94 | 4.26 | -52.8 | 3 | 3 | 0 | 60 | 235.327 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
