| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 29th, 2009 | 30 | Yes |
Popular Name: N-(p-tolyl)-2-(3,4,5-trimethoxyphenyl)quinazolin-4-amine N-(p-tolyl)-2-(3,4,5-trimethoxyp…
| 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) | 5.85 | 11.85 | -12.99 | 1 | 6 | 0 | 66 | 401.466 | 6 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z100081-1-O | PBMC (Peripheral Blood Mononuclear Cells) (cluster #1 Of 4), Other | Other | 70 | 0.33 | Functional ≤ 10μM |
| Z103203-1-O | A375 (cluster #1 Of 3), Other | Other | 800 | 0.28 | Functional ≤ 10μM |
| Z80390-1-O | PC-3 (Prostate Carcinoma Cells) (cluster #1 Of 10), Other | Other | 10000 | 0.23 | Functional ≤ 10μM |
| Z80936-1-O | HEK293 (Embryonic Kidney Fibroblasts) (cluster #1 Of 4), Other | Other | 10000 | 0.23 | Functional ≤ 10μM |
| Z81072-6-O | Jurkat (Acute Leukemic T-cells) (cluster #6 Of 10), Other | Other | 50 | 0.34 | Functional ≤ 10μM |
| Z100081-2-O | PBMC (Peripheral Blood Mononuclear Cells) (cluster #2 Of 2), Other | Other | 50 | 0.34 | ADME/T ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z103203 | Z103203 | A375 | 800 | 0.28 | Functional ≤ 10μM |
| Z80936 | Z80936 | HEK293 (Embryonic Kidney Fibroblasts) | 10000 | 0.23 | Functional ≤ 10μM |
| Z81072 | Z81072 | Jurkat (Acute Leukemic T-cells) | 100 | 0.33 | Functional ≤ 10μM |
| Z100081 | Z100081 | PBMC (Peripheral Blood Mononuclear Cells) | 100 | 0.33 | Functional ≤ 10μM |
| Z80390 | Z80390 | PC-3 (Prostate Carcinoma Cells) | 10000 | 0.23 | Functional ≤ 10μM |
| Z100081 | Z100081 | PBMC (Peripheral Blood Mononuclear Cells) | 50 | 0.34 | ADME/T ≤ 10μM |
