In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 7th, 2004 | 16 | 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) | 4.63 | 1.67 | -3.55 | 0 | 1 | 0 | 9 | 232.71 | 3 | ↓ |
Note Type | Comments | Provided By |
---|---|---|
PUBCHEM_PATENT_ID | EP0850902A1; US6011181 | IBM Patent Data |
PUBCHEM_PATENT_ID | WO1999003826A2 | IBM Patent Data |