| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 6th, 2012 | 24 | 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) | 4.38 | 6.25 | -42.87 | 1 | 3 | -1 | 60 | 331.476 | 1 | ↓ |
| Mid Mid (pH 6-8) | 3.80 | 7.05 | -10.45 | 1 | 3 | 0 | 54 | 332.484 | 1 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | US4383992 | IBM Patent Data |
No pre-computed analogs available. Try a structural similarity search.