In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 5th, 2009 | 24 | No |
Popular Name: 3-(2-aminoethyl)-4,11-dihydroxy-1H-naphtho[2,3-f]indole-5,10-dione 3-(2-aminoethyl)-4,11-dihydroxy-…
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) | 2.17 | 3.66 | -73.48 | 6 | 6 | 1 | 118 | 323.328 | 2 | ↓ |
Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
---|---|---|---|---|---|
Z80186-1-O | K562 (Erythroleukemia Cells) (cluster #1 Of 11), Other | Other | 4000 | 0.31 | Functional ≤ 10μM |
Z80928-3-O | HCT-116 (Colon Carcinoma Cells) (cluster #3 Of 9), Other | Other | 1100 | 0.35 | Functional ≤ 10μM |
Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
---|---|---|---|---|---|
Z80928 | Z80928 | HCT-116 (Colon Carcinoma Cells) | 1100 | 0.35 | Functional ≤ 10μM |
Z80186 | Z80186 | K562 (Erythroleukemia Cells) | 4000 | 0.31 | Functional ≤ 10μM |