| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 8th, 2011 | 33 | 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) | 6.94 | 15.03 | -97.16 | 3 | 3 | 2 | 30 | 435.615 | 3 | ↓ |
| Hi High (pH 8-9.5) | 6.94 | 13.03 | -28.83 | 2 | 3 | 1 | 29 | 434.607 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
