| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 16th, 2010 | 20 | 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) | -1.64 | 2.33 | -108.7 | 1 | 8 | -2 | 136 | 301.276 | 7 | ↓ |
| Lo Low (pH 4.5-6) | -1.64 | 0.31 | -45 | 2 | 8 | -1 | 133 | 302.284 | 7 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | WO1998047876A1 | IBM Patent Data |
