| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 9th, 2009 | 27 | Yes |
Popular Name: Quetiapine Fumarate Quetiapine Fumarate
Find On: PubMed — Wikipedia — Google
CAS Number: 111974-72-2
| 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) | 2.65 | 5.33 | -36.3 | 3 | 5 | 1 | 49 | 386.541 | 6 | ↓ |
| Mid Mid (pH 6-8) | 2.65 | 5.2 | -37.26 | 3 | 5 | 1 | 49 | 386.541 | 6 | ↓ |
| Mid Mid (pH 6-8) | 2.65 | 2.86 | -7.28 | 2 | 5 | 0 | 48 | 385.533 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.