| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 17th, 2009 | 29 | No |
| 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) | 3.22 | 7.95 | -46.2 | 3 | 6 | 1 | 69 | 393.511 | 8 | ↓ |
| Hi High (pH 8-9.5) | 3.22 | 5.71 | -15.8 | 2 | 6 | 0 | 68 | 392.503 | 8 | ↓ |
| Mid Mid (pH 6-8) | 3.22 | 8.09 | -47.93 | 3 | 6 | 1 | 69 | 393.511 | 8 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | EP0557451B1; EP0558645A1; EP0617705A1; EP0617705B1; EP0629407A2; EP0629407A3; EP0668355A1; EP0668355B1; EP0742827A1; EP0798378A2; EP0798378A3; EP0839055A1; EP0908780A1; EP0920627A1; EP0977579A1; EP0982854A2; EP0996719A1; EP1012334A1; EP1017697A1; EP102344 | IBM Patent Data |
