In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 16th, 2005 | 21 | No |
Popular Name: 3-(4-chlorophenyl)-1-(2,4-dimethoxyphenyl)-prop-2-en-1-one 3-(4-chlorophenyl)-1-(2,4-dimeth…
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) | 4.53 | 2.88 | -11.47 | 0 | 3 | 0 | 35 | 302.757 | 5 | ↓ |
Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
---|---|---|---|---|---|
Z80224-1-O | MCF7 (Breast Carcinoma Cells) (cluster #1 Of 14), Other | Other | 6500 | 0.35 | Functional ≤ 10μM |
Z80928-6-O | HCT-116 (Colon Carcinoma Cells) (cluster #6 Of 9), Other | Other | 6200 | 0.35 | Functional ≤ 10μM |
Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
---|---|---|---|---|---|
Z80928 | Z80928 | HCT-116 (Colon Carcinoma Cells) | 6200 | 0.35 | Functional ≤ 10μM |
Z80224 | Z80224 | MCF7 (Breast Carcinoma Cells) | 6500 | 0.35 | Functional ≤ 10μM |