In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 8th, 2011 | 15 | Yes |
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) | 2.82 | 6.82 | -5.36 | 0 | 2 | 0 | 22 | 199.253 | 3 | ↓ |
Note Type | Comments | Provided By |
---|---|---|
PUBCHEM_PATENT_ID | US5831094; US5948778 | IBM Patent Data |
No pre-computed analogs available. Try a structural similarity search.