In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 5th, 2008 | 26 | 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) | 0.22 | 1.31 | -44.68 | 2 | 10 | -1 | 151 | 393.438 | 9 | ↓ |
Note Type | Comments | Provided By |
---|---|---|
PUBCHEM_PATENT_ID | US5214056 | IBM Patent Data |
No pre-computed analogs available. Try a structural similarity search.