| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 7th, 2010 | 15 | 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) | 1.91 | 7.63 | -36.35 | 1 | 3 | 1 | 21 | 206.313 | 3 | ↓ |
| Hi High (pH 8-9.5) | 1.91 | 5.4 | -4.5 | 0 | 3 | 0 | 19 | 205.305 | 3 | ↓ |
| Mid Mid (pH 6-8) | 1.91 | 5.71 | -27.28 | 1 | 3 | 1 | 21 | 206.313 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 1.91 | 7.93 | -87.71 | 2 | 3 | 2 | 22 | 207.321 | 3 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | EP0623620A1; EP0623620B1 | IBM Patent Data |
