| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 23rd, 2009 | 22 | 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) | 2.54 | 10.81 | -84.25 | 2 | 4 | 2 | 43 | 306.45 | 8 | ↓ |
| Hi High (pH 8-9.5) | 2.54 | 6.34 | -7.83 | 0 | 4 | 0 | 41 | 304.434 | 8 | ↓ |
| Hi High (pH 8-9.5) | 2.54 | 8.64 | -39.5 | 1 | 4 | 1 | 42 | 305.442 | 8 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | EP0208517A2; US4904664 | IBM Patent Data |
