| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 4th, 2005 | 14 | 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) | -0.50 | -2.56 | -9.46 | 1 | 4 | 0 | 53 | 192.218 | 1 | ↓ |
| Lo Low (pH 4.5-6) | -0.50 | -2.44 | -40.89 | 2 | 4 | 1 | 54 | 193.226 | 1 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | US4332945; US4442292; US4452984; US4590278 | IBM Patent Data |
No pre-computed analogs available. Try a structural similarity search.