| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 23rd, 2010 | 16 | 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) | 1.40 | 3.98 | -50.77 | 1 | 5 | -1 | 70 | 237.308 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 1.40 | 4.5 | -63.32 | 2 | 5 | 0 | 71 | 238.316 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 0.95 | 5.85 | -13.04 | 2 | 5 | 0 | 66 | 238.316 | 3 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | US5010081 | IBM Patent Data |
