| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 28th, 2004 | 20 | Yes |
Popular Name: Flindersiamine Flindersiamine
Find On: PubMed — Wikipedia — Google
CAS Number: 522-06-5
| 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) | 2.72 | -0.85 | -12.09 | 0 | 6 | 0 | 62 | 273.244 | 2 | ↓ |
| Mid Mid (pH 6-8) | 2.72 | -0.14 | -25.23 | 1 | 6 | 1 | 64 | 274.252 | 2 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z80682-1-O | A549 (Lung Carcinoma Cells) (cluster #1 Of 11), Other | Other | 8900 | 0.35 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z80682 | Z80682 | A549 (Lung Carcinoma Cells) | 8900 | 0.35 | Functional ≤ 10μM |
No pre-computed analogs available. Try a structural similarity search.