| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 23rd, 2008 | 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) | 0.55 | 2.88 | -41.56 | 2 | 2 | 1 | 20 | 187.332 | 1 | ↓ |
| Hi High (pH 8-9.5) | 0.55 | 0.28 | -34.9 | 0 | 2 | -1 | 17 | 185.316 | 1 | ↓ |
| Lo Low (pH 4.5-6) | 0.55 | 5.08 | -105.35 | 3 | 2 | 2 | 21 | 188.34 | 1 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | EP0371390A2; US5215967 | IBM Patent Data |
