In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 19th, 2005 | 18 | 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) | 2.67 | 1.62 | -9.26 | 0 | 7 | 0 | 94 | 251.242 | 3 | ↓ |
Note Type | Comments | Provided By |
---|---|---|
PUBCHEM_PATENT_ID | EP0444944A2; EP0444944B1; EP0449649A2; EP0449649A3; US5015742; US5246955 | IBM Patent Data |