| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 13th, 2009 | 13 | 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) | 1.49 | 2.36 | -8.33 | 2 | 4 | 0 | 57 | 172.191 | 0 | ↓ |
| Mid Mid (pH 6-8) | 1.49 | 2.58 | -12.22 | 2 | 4 | 0 | 57 | 172.191 | 0 | ↓ |
| Mid Mid (pH 6-8) | 1.49 | 2.5 | -12.46 | 2 | 4 | 0 | 57 | 172.191 | 0 | ↓ |
| Mid Mid (pH 6-8) | 1.49 | 2.5 | -9.83 | 2 | 4 | 0 | 57 | 172.191 | 0 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | US4734430 | IBM Patent Data |