| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 19th, 2011 | 23 | Yes |
Popular Name: N4-(2-furylmethyl)-N2-pentyl-quinazoline-2,4-diamine N4-(2-furylmethyl)-N2-pentyl-qui…
| 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) | 4.72 | 10.68 | -24.95 | 3 | 5 | 1 | 64 | 311.409 | 8 | ↓ |
| Hi High (pH 8-9.5) | 4.72 | 10.31 | -8.74 | 2 | 5 | 0 | 63 | 310.401 | 8 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z80166-1-O | HT-29 (Colon Adenocarcinoma Cells) (cluster #1 Of 12), Other | Other | 6730 | 0.31 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z80166 | Z80166 | HT-29 (Colon Adenocarcinoma Cells) | 6730 | 0.31 | Functional ≤ 10μM |
