| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 20th, 2009 | 10 | Yes |
| 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) | 3.40 | -1.23 | -6.26 | 1 | 3 | 0 | 46 | 177.147 | 3 | ↓ |
| Mid Mid (pH 6-8) | 3.40 | -1.49 | -29.83 | 0 | 3 | -1 | 48 | 176.139 | 3 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | US6025457 | IBM Patent Data |
No pre-computed analogs available. Try a structural similarity search.