| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 12th, 2010 | 34 | 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) | 4.52 | 15.52 | -88.58 | 2 | 7 | 2 | 66 | 501.414 | 8 | ↓ |
| Hi High (pH 8-9.5) | 4.52 | 14.55 | -14.94 | 0 | 7 | 0 | 63 | 499.398 | 8 | ↓ |
| Mid Mid (pH 6-8) | 4.52 | 15.06 | -46.63 | 1 | 7 | 1 | 65 | 500.406 | 8 | ↓ |
| Mid Mid (pH 6-8) | 4.52 | 15.01 | -40.17 | 1 | 7 | 1 | 65 | 500.406 | 8 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | US4218458; US4313953; US4533550 | IBM Patent Data |
