| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 9th, 2011 | 30 | Yes |
Popular Name: Bayin Bayin
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) | 0.81 | -5.83 | -16.07 | 6 | 9 | 0 | 161 | 416.382 | 3 | ↓ |
| Hi High (pH 8-9.5) | 0.81 | -4.93 | -53.81 | 5 | 9 | -1 | 164 | 415.374 | 3 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | EP0948819A2; US5757056 | IBM Patent Data |
No pre-computed analogs available. Try a structural similarity search.