| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 18th, 2008 | 17 | No |
Popular Name: Caerulomycin a Caerulomycin a
Find On: PubMed — Wikipedia — Google
CAS Number: 21802-37-9
| 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) | 1.63 | 3.62 | -25.47 | 1 | 5 | 0 | 67 | 229.239 | 3 | ↓ |
| Mid Mid (pH 6-8) | 2.33 | 3.1 | -29.41 | 2 | 5 | 1 | 69 | 230.247 | 3 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z80156-1-O | HL-60 (Promyeloblast Leukemia Cells) (cluster #1 Of 12), Other | Other | 710 | 0.51 | Functional ≤ 10μM |
| Z80682-8-O | A549 (Lung Carcinoma Cells) (cluster #8 Of 11), Other | Other | 260 | 0.54 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z80682 | Z80682 | A549 (Lung Carcinoma Cells) | 260 | 0.54 | Functional ≤ 10μM |
| Z80156 | Z80156 | HL-60 (Promyeloblast Leukemia Cells) | 710 | 0.51 | Functional ≤ 10μM |
No pre-computed analogs available. Try a structural similarity search.