| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 29th, 2009 | 27 | Yes |
Popular Name: [(2R,3S)-2-[3-(6-cyano-4-oxo-quinazolin-3-yl)-2-oxo-propyl]-3-piperidyl] [(2R,3S)-2-[3-(6-cyano-4-oxo-qui…
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) | 0.46 | 9.52 | -56.75 | 2 | 8 | 1 | 119 | 369.401 | 6 | ↓ |
| Hi High (pH 8-9.5) | 0.46 | 8.43 | -20.88 | 1 | 8 | 0 | 114 | 368.393 | 6 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | US4762838; US4849518; US4920224 | IBM Patent Data |
