In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 4th, 2011 | 25 | Yes |
Popular Name: 2-[2-amino-5-(1-ethylindol-5-yl)pyrimidin-4-yl]phenol 2-[2-amino-5-(1-ethylindol-5-yl)…
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) | 3.81 | 8.79 | -9.53 | 3 | 5 | 0 | 77 | 330.391 | 3 | ↓ |
Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
---|---|---|---|---|---|
Z103205-3-O | A431 (cluster #3 Of 4), Other | Other | 20 | 0.43 | Functional ≤ 10μM |
Z80166-1-O | HT-29 (Colon Adenocarcinoma Cells) (cluster #1 Of 12), Other | Other | 28 | 0.42 | Functional ≤ 10μM |
Z80493-1-O | SK-OV-3 (Ovarian Carcinoma Cells) (cluster #1 Of 6), Other | Other | 32 | 0.42 | Functional ≤ 10μM |
Z80682-1-O | A549 (Lung Carcinoma Cells) (cluster #1 Of 11), Other | Other | 62 | 0.40 | Functional ≤ 10μM |
Z81024-1-O | NCI-H460 (Non-small Cell Lung Carcinoma) (cluster #1 Of 8), Other | Other | 19 | 0.43 | Functional ≤ 10μM |
Z81115-3-O | KB (Squamous Cell Carcinoma) (cluster #3 Of 6), Other | Other | 20 | 0.43 | Functional ≤ 10μM |
Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
---|---|---|---|---|---|
Z103205 | Z103205 | A431 | 20.3 | 0.43 | Functional ≤ 10μM |
Z80682 | Z80682 | A549 (Lung Carcinoma Cells) | 62 | 0.40 | Functional ≤ 10μM |
Z80166 | Z80166 | HT-29 (Colon Adenocarcinoma Cells) | 28.2 | 0.42 | Functional ≤ 10μM |
Z81115 | Z81115 | KB (Squamous Cell Carcinoma) | 20 | 0.43 | Functional ≤ 10μM |
Z81024 | Z81024 | NCI-H460 (Non-small Cell Lung Carcinoma) | 19 | 0.43 | Functional ≤ 10μM |
Z80493 | Z80493 | SK-OV-3 (Ovarian Carcinoma Cells) | 32 | 0.42 | Functional ≤ 10μM |
No pre-computed analogs available. Try a structural similarity search.