| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 13th, 2009 | 25 | 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) | -0.13 | 8.02 | -67.02 | 1 | 6 | -1 | 86 | 345.35 | 4 | ↓ |
| Mid Mid (pH 6-8) | -0.13 | 6 | -16.27 | 2 | 6 | 0 | 83 | 346.358 | 4 | ↓ |
| Lo Low (pH 4.5-6) | -2.87 | 6.03 | -31.08 | 2 | 6 | 0 | 89 | 346.358 | 3 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | EP0235676A2; US4820716; US5153204 | IBM Patent Data |
