In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
January 29th, 2006 | 9 | 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) | -0.97 | -3.91 | -9.17 | 3 | 4 | 0 | 72 | 130.147 | 3 | ↓ |
Note Type | Comments | Provided By |
---|---|---|
PUBCHEM_PATENT_ID | EP0476760A2; EP0476760A3; EP0757682A1; US5238909; US5858995; WO1996034866A1 | IBM Patent Data |