In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 30th, 2009 | 27 | No |
Popular Name: (4R)-2-amino-4-(3-bromo-4,5-dimethoxy-phenyl)-4,7-dihydropyrano[2,3-e]indole-3-carbonitrile (4R)-2-amino-4-(3-bromo-4,5-dime…
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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) | 3.50 | 6.28 | -12.73 | 3 | 6 | 0 | 93 | 426.27 | 3 | ↓ |
Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
---|---|---|---|---|---|
Z80712-2-O | T47D (Breast Carcinoma Cells) (cluster #2 Of 7), Other | Other | 5 | 0.43 | Functional ≤ 10μM |
Z80928-1-O | HCT-116 (Colon Carcinoma Cells) (cluster #1 Of 9), Other | Other | 14 | 0.41 | Functional ≤ 10μM |
Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
---|---|---|---|---|---|
Z80928 | Z80928 | HCT-116 (Colon Carcinoma Cells) | 14 | 0.41 | Functional ≤ 10μM |
Z80712 | Z80712 | T47D (Breast Carcinoma Cells) | 5 | 0.43 | Functional ≤ 10μM |