In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 21st, 2005 | 41 | 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) | 6.07 | 2.45 | -49.84 | 1 | 11 | -1 | 143 | 577.687 | 13 | ↓ |
Mid Mid (pH 6-8) | 6.07 | 2.62 | -59.84 | 2 | 11 | 0 | 144 | 578.695 | 13 | ↓ |
Note Type | Comments | Provided By |
---|---|---|
PUBCHEM_PATENT_ID | US5616599; US5646171 | IBM Patent Data |