In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 12th, 2009 | 26 | No |
None
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) | 0.45 | 3.63 | -13.54 | 0 | 8 | 0 | 89 | 357.366 | 3 | ↓ |
Lo Low (pH 4.5-6) | 0.45 | 5.99 | -35.14 | 1 | 8 | 1 | 90 | 358.374 | 3 | ↓ |
Note Type | Comments | Provided By |
---|---|---|
PUBCHEM_PATENT_ID | WO1992014455A1 | IBM Patent Data |