| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 23rd, 2004 | 22 | Yes |
Popular Name: 3-(4-chlorophenyl)-1-ethyl-6-methyl-pyrimido[5,4-e][1,2,4]triazine-5,7-quinone 3-(4-chlorophenyl)-1-ethyl-6-met…
| 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) | 2.93 | -1.17 | -10.04 | 0 | 7 | 0 | 82 | 317.736 | 2 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z80492-1-O | SK-N-SH (Neuroblastoma Cells) (cluster #1 Of 2), Other | Other | 150 | 0.43 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z80492 | Z80492 | SK-N-SH (Neuroblastoma Cells) | 150 | 0.43 | Functional ≤ 10μM |
