| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 17th, 2012 | 11 | 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) | 0.76 | 4.29 | -105.11 | 4 | 2 | 2 | 32 | 158.289 | 4 | ↓ |
| Hi High (pH 8-9.5) | 0.76 | 3.99 | -32.19 | 3 | 2 | 1 | 30 | 157.281 | 4 | ↓ |
| Mid Mid (pH 6-8) | 0.76 | 1.82 | -38.93 | 3 | 2 | 1 | 31 | 157.281 | 4 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | EP0714908B1 | IBM Patent Data |
| PUBCHEM_PATENT_ID | EP0714908B1; US5705662 | IBM Patent Data |
No pre-computed analogs available. Try a structural similarity search.