| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 21st, 2011 | 15 | Yes |
None
| 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) | 0.69 | 6.06 | -8.9 | 2 | 5 | 0 | 71 | 202.217 | 2 | ↓ |
| Hi High (pH 8-9.5) | 0.76 | 4.58 | -47.42 | 1 | 5 | -1 | 77 | 201.209 | 2 | ↓ |
| Hi High (pH 8-9.5) | 0.69 | 5.89 | -50.77 | 1 | 5 | -1 | 69 | 201.209 | 2 | ↓ |
| Mid Mid (pH 6-8) | 0.69 | 6.03 | -14.69 | 2 | 5 | 0 | 71 | 202.217 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
