| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 23rd, 2009 | 27 | 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) | -0.38 | 9.16 | -95.08 | 2 | 7 | 0 | 91 | 375.4 | 5 | ↓ |
| Hi High (pH 8-9.5) | -0.38 | 7.72 | -66.11 | 1 | 7 | -1 | 87 | 374.392 | 5 | ↓ |
| Mid Mid (pH 6-8) | -0.38 | 7.15 | -51.02 | 3 | 7 | 1 | 88 | 376.408 | 5 | ↓ |
| Lo Low (pH 4.5-6) | -3.12 | 7.16 | -83.75 | 3 | 7 | 1 | 94 | 376.408 | 4 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | US4889857 | IBM Patent Data |
