| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 13th, 2009 | 29 | 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) | 0.47 | 11.3 | -88.73 | 1 | 7 | 0 | 79 | 409.433 | 5 | ↓ |
| Hi High (pH 8-9.5) | 0.47 | 9.12 | -59.25 | 0 | 7 | -1 | 78 | 408.425 | 5 | ↓ |
| Mid Mid (pH 6-8) | 0.47 | 9.29 | -47.71 | 2 | 7 | 1 | 76 | 410.441 | 5 | ↓ |
| Lo Low (pH 4.5-6) | -2.27 | 9.99 | -72.09 | 2 | 7 | 1 | 82 | 410.441 | 4 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | US4997943 | IBM Patent Data |
