| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 23rd, 2004 | 24 | Yes |
Popular Name: 3-[3-[(2R,3S)-3-hydroxy-2-piperidyl]-2-keto-propyl]-4-keto-quinazoline-6-carbonitrile 3-[3-[(2R,3S)-3-hydroxy-2-piperi…
| 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) | -0.25 | 5.39 | -55.15 | 3 | 7 | 1 | 113 | 327.364 | 4 | ↓ |
| Hi High (pH 8-9.5) | -0.25 | 4.11 | -18.88 | 2 | 7 | 0 | 108 | 326.356 | 4 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | US4762838; US4849518; US4920224 | IBM Patent Data |
