| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 17th, 2006 | 19 | Yes |
Popular Name: BLAHone BLAHone
| 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) | 3.75 | 0.64 | -10.62 | 0 | 3 | 0 | 43 | 247.253 | 0 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z80008-2-O | 5637 (Epithelial Bladder Carcinoma Cells) (cluster #2 Of 3), Other | Other | 5000 | 0.39 | Functional ≤ 10μM |
| Z80025-2-O | ACHN (Renal Adenocarcinoma Cells) (cluster #2 Of 3), Other | Other | 3600 | 0.40 | Functional ≤ 10μM |
| Z80068-3-O | CCRF-SB (Lymphoblastic Leukemia Cells) (cluster #3 Of 5), Other | Other | 3600 | 0.40 | Functional ≤ 10μM |
| Z80224-5-O | MCF7 (Breast Carcinoma Cells) (cluster #5 Of 14), Other | Other | 3200 | 0.40 | Functional ≤ 10μM |
| Z80285-3-O | MOLT-4 (Acute T-lymphoblastic Leukemia Cells) (cluster #3 Of 4), Other | Other | 10000 | 0.37 | Functional ≤ 10μM |
| Z80945-2-O | HEp-2 (Laryngeal Carcinoma Cells) (cluster #2 Of 4), Other | Other | 1400 | 0.43 | Functional ≤ 10μM |
| Z81020-7-O | HepG2 (Hepatoblastoma Cells) (cluster #7 Of 8), Other | Other | 5200 | 0.39 | Functional ≤ 10μM |
| Z81247-5-O | HeLa (Cervical Adenocarcinoma Cells) (cluster #5 Of 9), Other | Other | 8200 | 0.37 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z80008 | Z80008 | 5637 (Epithelial Bladder Carcinoma Cells) | 5000 | 0.39 | Functional ≤ 10μM |
| Z80025 | Z80025 | ACHN (Renal Adenocarcinoma Cells) | 3600 | 0.40 | Functional ≤ 10μM |
| Z80068 | Z80068 | CCRF-SB (Lymphoblastic Leukemia Cells) | 3600 | 0.40 | Functional ≤ 10μM |
| Z81247 | Z81247 | HeLa (Cervical Adenocarcinoma Cells) | 8200 | 0.37 | Functional ≤ 10μM |
| Z80945 | Z80945 | HEp-2 (Laryngeal Carcinoma Cells) | 1400 | 0.43 | Functional ≤ 10μM |
| Z81020 | Z81020 | HepG2 (Hepatoblastoma Cells) | 5200 | 0.39 | Functional ≤ 10μM |
| Z80224 | Z80224 | MCF7 (Breast Carcinoma Cells) | 3200 | 0.40 | Functional ≤ 10μM |
| Z80285 | Z80285 | MOLT-4 (Acute T-lymphoblastic Leukemia Cells) | 10000 | 0.37 | Functional ≤ 10μM |
No pre-computed analogs available. Try a structural similarity search.