| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 2nd, 2011 | 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) | 0.64 | 2.41 | -47.08 | 3 | 5 | 1 | 66 | 238.242 | 1 | ↓ |
| Hi High (pH 8-9.5) | 1.10 | -0.22 | -70.54 | 2 | 5 | 0 | 69 | 237.234 | 1 | ↓ |
| Hi High (pH 8-9.5) | 0.64 | 1.11 | -7.33 | 2 | 5 | 0 | 61 | 237.234 | 1 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
