| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 16th, 2008 | 32 | 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) | -0.69 | -2.97 | -51.78 | 6 | 10 | -1 | 184 | 443.432 | 2 | ↓ |
| Hi High (pH 8-9.5) | -0.69 | 1.36 | -177.48 | 5 | 10 | -2 | 191 | 442.424 | 2 | ↓ |
| Hi High (pH 8-9.5) | -0.69 | -1.98 | -106.55 | 5 | 10 | -2 | 187 | 442.424 | 2 | ↓ |
| Mid Mid (pH 6-8) | -0.69 | -0.79 | -50.67 | 7 | 10 | 0 | 186 | 444.44 | 2 | ↓ |
| Mid Mid (pH 6-8) | -0.24 | 0.3 | -93.28 | 6 | 10 | -1 | 188 | 443.432 | 2 | ↓ |
| Mid Mid (pH 6-8) | -1.27 | -0.3 | -146.35 | 5 | 10 | -1 | 185 | 443.432 | 2 | ↓ |
| Mid Mid (pH 6-8) | -2.01 | -1 | -68.36 | 7 | 10 | 1 | 180 | 445.448 | 1 | ↓ |
| Mid Mid (pH 6-8) | -1.42 | -1.88 | -55.33 | 8 | 10 | 1 | 183 | 445.448 | 1 | ↓ |
| Mid Mid (pH 6-8) | -0.24 | -1.84 | -115.94 | 5 | 10 | -2 | 187 | 442.424 | 2 | ↓ |
| Lo Low (pH 4.5-6) | -1.42 | -3.9 | -18.46 | 7 | 10 | 0 | 182 | 444.44 | 1 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | EP0049422A2; EP0083820A1; EP0239739A1; EP0272667A2; EP0272668A1; EP0272668B1; EP0282319A2; EP0318341A1; EP0344721A1; EP0384694B1; EP0395476A2; EP0410099A1; EP0566291A1; EP0629347A1; EP0629347B1; EP0705334A1; EP0721502A1; EP0733369A1; EP0736302A2; EP073630 | IBM Patent Data |
