| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 12th, 2010 | 30 | Yes |
Popular Name: 4-[(2R,5R)-2,5-dimethyl-4-(2-pyridyl)piperazin-1-yl]-2-phenyl-quinazoline 4-[(2R,5R)-2,5-dimethyl-4-(2-pyr…
| 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) | 5.23 | 14.56 | -74.68 | 2 | 5 | 2 | 48 | 397.526 | 3 | ↓ |
| Mid Mid (pH 6-8) | 5.23 | 13.65 | -10.75 | 0 | 5 | 0 | 45 | 395.51 | 3 | ↓ |
| Mid Mid (pH 6-8) | 5.23 | 14.57 | -68.14 | 2 | 5 | 2 | 48 | 397.526 | 3 | ↓ |
| Mid Mid (pH 6-8) | 5.23 | 14.23 | -39.06 | 1 | 5 | 1 | 46 | 396.518 | 3 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | US4306065; US4377582 | IBM Patent Data |
