In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 7th, 2004 | 13 | 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) | 0.33 | -2.27 | -10.75 | 1 | 3 | 0 | 40 | 177.203 | 2 | ↓ |
Note Type | Comments | Provided By |
---|---|---|
PUBCHEM_PATENT_ID | EP0396282A2; EP0625978A1; US5053411; USRE34201; WO1993016073A1; WO2000077010A2 | IBM Patent Data |