| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 13th, 2009 | 32 | 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) | 4.91 | 12.97 | -117 | 2 | 4 | 2 | 15 | 477.524 | 8 | ↓ |
| Hi High (pH 8-9.5) | 4.91 | 8.8 | -3.54 | 0 | 4 | 0 | 13 | 475.508 | 8 | ↓ |
| Mid Mid (pH 6-8) | 4.91 | 13.33 | -102.2 | 2 | 4 | 2 | 15 | 477.524 | 8 | ↓ |
| Mid Mid (pH 6-8) | 4.91 | 12.95 | -96.33 | 2 | 4 | 2 | 15 | 477.524 | 8 | ↓ |
| Mid Mid (pH 6-8) | 4.91 | 10.69 | -38.03 | 1 | 4 | 1 | 14 | 476.516 | 8 | ↓ |
| Mid Mid (pH 6-8) | 4.91 | 11.07 | -40.55 | 1 | 4 | 1 | 14 | 476.516 | 8 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | US4725597 | IBM Patent Data |
