| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 31st, 2009 | 31 | Yes |
Popular Name: N-[4-[2-[4-(2-pyridyl)piperazin-1-yl]ethyl]cyclohexyl]quinazolin-4-amine N-[4-[2-[4-(2-pyridyl)piperazin-…
| 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) | 3.99 | 14.5 | -52.59 | 2 | 6 | 1 | 58 | 417.581 | 6 | ↓ |
| Hi High (pH 8-9.5) | 3.99 | 12.26 | -11.31 | 1 | 6 | 0 | 57 | 416.573 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 3.99 | 14.81 | -108.15 | 3 | 6 | 2 | 60 | 418.589 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 3.99 | 15.27 | -146.67 | 4 | 6 | 3 | 61 | 419.597 | 6 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | US5977110; WO1997011070A1 | IBM Patent Data |
