| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 18th, 2011 | 27 | Yes |
Popular Name: 3-[[2-[4-(diethylamino)anilino]quinazolin-4-yl]amino]propan-1-ol 3-[[2-[4-(diethylamino)anilino]q…
| 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) | 4.32 | 9.83 | -61.69 | 4 | 6 | 0 | 75 | 366.489 | 9 | ↓ |
| Hi High (pH 8-9.5) | 4.32 | 9.74 | -11.03 | 3 | 6 | 0 | 73 | 365.481 | 9 | ↓ |
| Mid Mid (pH 6-8) | 4.32 | 10.31 | -64.27 | 5 | 6 | 0 | 76 | 367.497 | 9 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
