| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 11th, 2008 | 15 | 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) | -1.58 | 3.36 | -43.26 | 3 | 5 | 0 | 94 | 209.201 | 5 | ↓ |
| Hi High (pH 8-9.5) | -1.58 | 3.04 | -48.69 | 2 | 5 | -1 | 92 | 208.193 | 5 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Purity | 98% min. | APIChem |
No pre-computed analogs available. Try a structural similarity search.