| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 5th, 2008 | 31 | 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) | 9.02 | 21.69 | -42.47 | 1 | 3 | 1 | 22 | 432.761 | 20 | ↓ |
| Mid Mid (pH 6-8) | 9.02 | 22.21 | -82.93 | 2 | 3 | 2 | 24 | 433.769 | 20 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | US4925851 | IBM Patent Data |
No pre-computed analogs available. Try a structural similarity search.
