| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 31st, 2009 | 15 | 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) | 2.06 | 8.41 | -12.94 | 1 | 3 | 0 | 53 | 196.209 | 1 | ↓ |
| Hi High (pH 8-9.5) | 2.13 | 7.55 | -45.03 | 0 | 3 | -1 | 59 | 195.201 | 1 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | EP0061105A2; EP0061109A2; US4386194; US4424331 | IBM Patent Data |
