| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 2nd, 2010 | 19 | 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) | 1.28 | -0.76 | -32.76 | 3 | 6 | 1 | 87 | 300.385 | 2 | ↓ |
| Hi High (pH 8-9.5) | 1.28 | -0.69 | -50.31 | 1 | 6 | -1 | 83 | 298.369 | 2 | ↓ |
| Hi High (pH 8-9.5) | 1.28 | -0.27 | -27.66 | 2 | 6 | 0 | 84 | 299.377 | 2 | ↓ |
| Mid Mid (pH 6-8) | 1.28 | -1.18 | -13.77 | 2 | 6 | 0 | 86 | 299.377 | 2 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | EP0122831A2; US4499103 | IBM Patent Data |
