| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 12th, 2010 | 31 | 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) | -3.40 | 0.38 | -65 | 5 | 13 | -1 | 198 | 482.553 | 7 | ↓ |
| Mid Mid (pH 6-8) | -3.40 | 0.68 | -96.62 | 6 | 13 | 0 | 200 | 483.561 | 7 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | US4275062 | IBM Patent Data |
