| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 3rd, 2011 | 17 | 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) | 1.92 | 7.23 | -44.4 | 1 | 4 | 1 | 28 | 240.371 | 2 | ↓ |
| Mid Mid (pH 6-8) | 1.92 | 5.03 | -8.51 | 0 | 4 | 0 | 27 | 239.363 | 2 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | US4420481 | IBM Patent Data |
No pre-computed analogs available. Try a structural similarity search.
