| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 12th, 2010 | 29 | No |
None
| 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) | -2.08 | 3.26 | -75.23 | 3 | 10 | -1 | 151 | 440.479 | 8 | ↓ |
| Mid Mid (pH 6-8) | -2.08 | 3.6 | -95.74 | 4 | 10 | 0 | 153 | 441.487 | 8 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | US4125611; US4226863 | IBM Patent Data |
