In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 17th, 2009 | 32 | No |
Popular Name: 6-azido-3-[2-[4-(4-fluorobenzoyl)-1-piperidyl]ethyl]-1H-quinazoline-2,4-dione 6-azido-3-[2-[4-(4-fluorobenzoyl…
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) | 3.84 | 8.42 | -47.95 | 2 | 9 | 1 | 126 | 437.455 | 6 | ↓ |
Mid Mid (pH 6-8) | 4.29 | 6.59 | -41.24 | 1 | 9 | 0 | 129 | 436.447 | 6 | ↓ |
Note Type | Comments | Provided By |
---|---|---|
PUBCHEM_PATENT_ID | US4665075 | IBM Patent Data |