| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 13th, 2008 | 21 | Yes |
Popular Name: 1,5-dimethyl-6H-pyrido[4,3-b]carbazol-9-yl methyl ether 1,5-dimethyl-6H-pyrido[4,3-b]car…
Find On: PubMed — Wikipedia — Google
CAS Number: 16101-08-9
| 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) | 4.16 | 7.5 | -8.93 | 1 | 3 | 0 | 38 | 276.339 | 1 | ↓ |
| Lo Low (pH 4.5-6) | 4.16 | 7.76 | -32.23 | 2 | 3 | 1 | 39 | 277.347 | 1 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z80145-1-O | H69 (cluster #1 Of 4), Other | Other | 1200 | 0.39 | Functional ≤ 10μM |
| Z80322-1-O | NCI-H358 (Lung Carcinama Cells) (cluster #1 Of 2), Other | Other | 2100 | 0.38 | Functional ≤ 10μM |
| Z81024-8-O | NCI-H460 (Non-small Cell Lung Carcinoma) (cluster #8 Of 8), Other | Other | 2100 | 0.38 | Functional ≤ 10μM |
| Z81277-1-O | NCI-N417 (cluster #1 Of 2), Other | Other | 1800 | 0.38 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z80145 | Z80145 | H69 | 1200 | 0.39 | Functional ≤ 10μM |
| Z80322 | Z80322 | NCI-H358 (Lung Carcinama Cells) | 2100 | 0.38 | Functional ≤ 10μM |
| Z81024 | Z81024 | NCI-H460 (Non-small Cell Lung Carcinoma) | 2100 | 0.38 | Functional ≤ 10μM |
| Z81277 | Z81277 | NCI-N417 | 1800 | 0.38 | Functional ≤ 10μM |
No pre-computed analogs available. Try a structural similarity search.