In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 23rd, 2008 | 14 | 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) | 3.47 | 5.29 | -41.06 | 3 | 1 | 1 | 28 | 194.342 | 1 | ↓ |
Note Type | Comments | Provided By |
---|---|---|
PUBCHEM_PATENT_ID | EP0719251A1; EP0719251B1; US4100170; US5514683; WO1995005359A1 | IBM Patent Data |