| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 18th, 2011 | 26 | Yes |
Popular Name: 3-[[2-(2-aminoethyl)quinazolin-4-yl]-[(4-fluorophenyl)methyl]amino]propan-1-ol 3-[[2-(2-aminoethyl)quinazolin-4…
| 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) | 2.05 | 6.55 | -47.63 | 4 | 5 | 1 | 77 | 355.437 | 8 | ↓ |
| Hi High (pH 8-9.5) | 2.05 | 6.17 | -10.92 | 3 | 5 | 0 | 75 | 354.429 | 8 | ↓ |
| Lo Low (pH 4.5-6) | 2.05 | 7.13 | -101.92 | 5 | 5 | 2 | 78 | 356.445 | 8 | ↓ |
| Lo Low (pH 4.5-6) | 2.05 | 7.1 | -103.01 | 5 | 5 | 2 | 78 | 356.445 | 8 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
