In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 6th, 2004 | 12 | 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) | 4.09 | 6.54 | -39.74 | 3 | 1 | 1 | 28 | 172.336 | 9 | ↓ |
Note Type | Comments | Provided By |
---|---|---|
PUBCHEM_PATENT_ID | EP0322209A1; EP0322209B1; EP0626942A1; EP0626942B1; US4260497; US4954339; US5514683; WO1993016982A1 | IBM Patent Data |
PUBCHEM_PATENT_ID | EP0747383A2; EP0747383A3; EP0801069A1; EP0804441A1; EP0806426A1; WO1993025557A1 | IBM Patent Data |
PUBCHEM_PATENT_ID | EP0747383A2; EP0747383A3; EP0801069A1; EP0804441A1; EP0806426A1; WO1993025557A1; WO1996022296A1; WO1998045300A1 | IBM Patent Data |