| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 2nd, 2010 | 10 | 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) | 0.17 | 0.42 | -33.53 | 2 | 3 | 1 | 35 | 146.21 | 3 | ↓ |
| Hi High (pH 8-9.5) | 0.17 | -0.87 | -2.92 | 1 | 3 | 0 | 30 | 145.202 | 3 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | WO2000035915A1 | IBM Patent Data |
