In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 10th, 2009 | 27 | Yes |
Popular Name: methyl methyl
None
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) | 4.44 | 11.93 | -34.32 | 1 | 6 | 1 | 62 | 361.425 | 4 | ↓ |
Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
---|---|---|---|---|---|
Z80712-2-O | T47D (Breast Carcinoma Cells) (cluster #2 Of 7), Other | Other | 5210 | 0.27 | Functional ≤ 10μM |
Z80928-3-O | HCT-116 (Colon Carcinoma Cells) (cluster #3 Of 9), Other | Other | 6080 | 0.27 | Functional ≤ 10μM |
Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
---|---|---|---|---|---|
Z80928 | Z80928 | HCT-116 (Colon Carcinoma Cells) | 6080 | 0.27 | Functional ≤ 10μM |
Z80712 | Z80712 | T47D (Breast Carcinoma Cells) | 5210 | 0.27 | Functional ≤ 10μM |