| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 24th, 2005 | 26 | Yes |
Popular Name: N-(4-(9-acridinylamino)phenyl)methanesulfonamide methanesulfonate; nsc156305 N-(4-(9-acridinylamino)phenyl)me…
| 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) | 4.92 | 6.98 | -47.63 | 2 | 5 | 0 | 74 | 363.442 | 4 | ↓ |
| Hi High (pH 8-9.5) | 4.92 | 6.58 | -44.4 | 1 | 5 | -1 | 73 | 362.434 | 4 | ↓ |
| Hi High (pH 8-9.5) | 4.92 | 6.42 | -14.46 | 2 | 5 | 0 | 71 | 363.442 | 4 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50425-3-O | Plasmodium Falciparum (cluster #3 Of 22), Other | Other | 3000 | 0.30 | Functional ≤ 10μM |
| Z80193-2-O | L1210 (Lymphocytic Leukemia Cells) (cluster #2 Of 12), Other | Other | 35 | 0.40 | Functional ≤ 10μM |
| Z81072-6-O | Jurkat (Acute Leukemic T-cells) (cluster #6 Of 10), Other | Other | 1000 | 0.32 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z81072 | Z81072 | Jurkat (Acute Leukemic T-cells) | 1000 | 0.32 | Functional ≤ 10μM |
| Z80193 | Z80193 | L1210 (Lymphocytic Leukemia Cells) | 35 | 0.40 | Functional ≤ 10μM |
| Z50425 | Z50425 | Plasmodium Falciparum | 3000 | 0.30 | Functional ≤ 10μM |
No pre-computed analogs available. Try a structural similarity search.