| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 13th, 2011 | 22 | 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) | 4.37 | 11.29 | -33.85 | 1 | 2 | 1 | 8 | 299.482 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 4.37 | 12.08 | -38.29 | 2 | 2 | 0 | 9 | 300.49 | 3 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | US3957793; US3968114; US4032529; US4127577; US4205171; USRE29943 | IBM Patent Data |
No pre-computed analogs available. Try a structural similarity search.
