| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 14th, 2010 | 12 | 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) | -2.60 | 0.58 | -34.04 | 4 | 4 | 0 | 88 | 193.268 | 7 | ↓ |
| Hi High (pH 8-9.5) | -2.60 | 0.26 | -44.08 | 3 | 4 | -1 | 86 | 192.26 | 7 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | EP0346883A2; EP0346883B1; US5047428 | IBM Patent Data |
