| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 20th, 2011 | 23 | Yes |
Popular Name: 2-[4-(7-chloroquinazolin-4-yl)-1,4-diazepan-1-yl]-N,N-dimethyl-ethanamine 2-[4-(7-chloroquinazolin-4-yl)-1…
| 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) | 2.61 | 9.92 | -38.56 | 1 | 5 | 1 | 37 | 334.875 | 4 | ↓ |
| Mid Mid (pH 6-8) | 2.61 | 11.77 | -115.97 | 2 | 5 | 2 | 38 | 335.883 | 4 | ↓ |
| Mid Mid (pH 6-8) | 2.61 | 7.42 | -5.54 | 0 | 5 | 0 | 35 | 333.867 | 4 | ↓ |
| Mid Mid (pH 6-8) | 2.61 | 9.28 | -40.63 | 1 | 5 | 1 | 37 | 334.875 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
