In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 28th, 2006 | 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) | 0.08 | 0.56 | -5.22 | 2 | 4 | 0 | 58 | 172.228 | 4 | ↓ |
Note Type | Comments | Provided By |
---|---|---|
PUBCHEM_PATENT_ID | WO2000018758A1 | IBM Patent Data |