| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 4th, 2011 | 32 | Yes |
Popular Name: N-(2-diethylaminoethyl)-4-[[7-(trifluoromethyl)quinazolin-4-yl]amino]benzenesulfonamide N-(2-diethylaminoethyl)-4-[[7-(t…
| 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) | 4.38 | 9.44 | -47.85 | 3 | 7 | 1 | 88 | 468.525 | 10 | ↓ |
| Hi High (pH 8-9.5) | 4.38 | 7.33 | -13.68 | 2 | 7 | 0 | 87 | 467.517 | 10 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
