| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 14th, 2010 | 36 | 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) | 4.80 | 14.52 | -19.39 | 0 | 5 | 0 | 64 | 493.619 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 4.80 | 15.31 | -83.52 | 1 | 5 | 0 | 65 | 494.627 | 6 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | WO1997041145A1 | IBM Patent Data |
