In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
February 4th, 2006 | 29 | Yes |
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) | 1.71 | 4.46 | -8.21 | 3 | 7 | 0 | 113 | 410.507 | 3 | ↓ |
Note Type | Comments | Provided By |
---|---|---|
PUBCHEM_PATENT_ID | US4902696; US5846992 | IBM Patent Data |