| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 23rd, 2004 | 23 | Yes |
Popular Name: [5-chloro-2-(methylamino)phenyl]-(3,4,5-trimethoxyphenyl)methanone [5-chloro-2-(methylamino)phenyl]…
| 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) | 3.49 | 1 | -8.94 | 1 | 5 | 0 | 56 | 335.787 | 6 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z80798-1-O | CPT30 Cell Line (cluster #1 Of 1), Other | Other | 5355 | 0.32 | Functional ≤ 10μM |
| Z80967-2-O | Hone-1 Cell Line (cluster #2 Of 2), Other | Other | 5143 | 0.32 | Functional ≤ 10μM |
| Z81115-1-O | KB (Squamous Cell Carcinoma) (cluster #1 Of 6), Other | Other | 7164 | 0.31 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z80798 | Z80798 | CPT30 Cell Line | 5354.9 | 0.32 | Functional ≤ 10μM |
| Z80967 | Z80967 | Hone-1 Cell Line | 5143.4 | 0.32 | Functional ≤ 10μM |
| Z81115 | Z81115 | KB (Squamous Cell Carcinoma) | 2293.2 | 0.34 | Functional ≤ 10μM |
No pre-computed analogs available. Try a structural similarity search.