| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 8th, 2011 | 24 | Yes |
Popular Name: 2,4-diamino-7-(4-chloroanilino)-5,8-difluoro-quinazoline-6-carbonitrile 2,4-diamino-7-(4-chloroanilino)-…
| 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) | 3.46 | 6.64 | -8.38 | 5 | 6 | 0 | 114 | 346.728 | 2 | ↓ |
| Lo Low (pH 4.5-6) | 3.46 | 7.12 | -35.75 | 6 | 6 | 1 | 115 | 347.736 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
