| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 20th, 2014 | 44 | 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) | 3.44 | 12.33 | -19.09 | 2 | 11 | 0 | 158 | 637.736 | 18 | ↓ |
| Hi High (pH 8-9.5) | 3.62 | 10.15 | -54.96 | 1 | 11 | -1 | 164 | 636.728 | 18 | ↓ |
No pre-computed analogs available. Try a structural similarity search.