In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 23rd, 2004 | 26 | Yes |
1,3,5-Triazine-2,4-diamine, 6-(4-morpholinyl)-N2,N4-diphenyl-
2,4-Bis(anilino)-6-(4-morpholinyl)-1,3,5-triazine
2,4-Dianilino-6-(4-morpholinyl)-1,3,5-triazine
2,4-Dianilino-6-(4-morpholinyl)-1,3,5-triazine, 97%
2-Fluoronicotinic acid methyl ester
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) | 4.73 | -3.04 | -7.94 | 2 | 7 | 0 | 75 | 348.41 | 5 | ↓ |
Note Type | Comments | Provided By |
---|---|---|
Melting_Point | 194-196? | Alfa-Aesar |
Melting_Point | 194-196° | Alfa-Aesar |
Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
---|---|---|---|---|---|
Z80928-2-O | HCT-116 (Colon Carcinoma Cells) (cluster #2 Of 9), Other | Other | 4700 | 0.29 | Functional ≤ 10μM |
Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
---|---|---|---|---|---|
Z80928 | Z80928 | HCT-116 (Colon Carcinoma Cells) | 4700 | 0.29 | Functional ≤ 10μM |