| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 6th, 2010 | 20 | 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) | 2.52 | 8.91 | -86.82 | 3 | 3 | 2 | 30 | 289.448 | 3 | ↓ |
| Hi High (pH 8-9.5) | 2.52 | 6.48 | -29.23 | 2 | 3 | 1 | 29 | 288.44 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
