In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 11th, 2008 | 16 | 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) | 1.69 | 6.16 | -16.39 | 3 | 5 | 0 | 73 | 235.316 | 1 | ↓ |
Lo Low (pH 4.5-6) | 2.42 | 1.22 | -23.14 | 3 | 5 | 1 | 71 | 236.324 | 1 | ↓ |
Note Type | Comments | Provided By |
---|---|---|
PUBCHEM_PATENT_ID | US3989682 | IBM Patent Data |