| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 12th, 2013 | 59 | 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) | 2.62 | 7.36 | -47.87 | 7 | 16 | 1 | 221 | 823.961 | 5 | ↓ |
| Hi High (pH 8-9.5) | 2.62 | 5.8 | -46.01 | 5 | 16 | -1 | 223 | 821.945 | 5 | ↓ |
| Hi High (pH 8-9.5) | 2.62 | 4.91 | -16.84 | 6 | 16 | 0 | 220 | 822.953 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.