| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 12th, 2006 | 25 | 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) | 1.00 | 4.69 | -44.47 | 3 | 7 | 1 | 98 | 352.407 | 1 | ↓ |
| Mid Mid (pH 6-8) | 1.00 | -0.79 | -10.42 | 2 | 7 | 0 | 96 | 351.399 | 1 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | US6126924; WO2000066036A2 | IBM Patent Data |
