| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 7th, 2008 | 17 | Yes |
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 | 6.97 | -39.07 | 2 | 3 | 1 | 37 | 231.319 | 2 | ↓ |
| Mid Mid (pH 6-8) | 0.81 | 5.43 | -5.21 | 1 | 3 | 0 | 32 | 230.311 | 2 | ↓ |
| Lo Low (pH 4.5-6) | 0.81 | 7.22 | -121.43 | 3 | 3 | 2 | 38 | 232.327 | 2 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | US4959373 | IBM Patent Data |
