| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 13th, 2006 | 31 | No |
Popular Name: Pseudolaric Acid B Pseudolaric Acid B
Find On: PubMed — Wikipedia — Google
CAS Number: 82508-31-4
| 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) | 3.27 | 4.75 | -62.28 | 0 | 8 | -1 | 119 | 431.461 | 7 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z80156-2-O | HL-60 (Promyeloblast Leukemia Cells) (cluster #2 Of 12), Other | Other | 4200 | 0.24 | Functional ≤ 10μM |
| Z80362-1-O | P388 (Lymphoma Cells) (cluster #1 Of 8), Other | Other | 3700 | 0.25 | Functional ≤ 10μM |
| Z80682-3-O | A549 (Lung Carcinoma Cells) (cluster #3 Of 11), Other | Other | 300 | 0.29 | Functional ≤ 10μM |
| Z80928-1-O | HCT-116 (Colon Carcinoma Cells) (cluster #1 Of 9), Other | Other | 136 | 0.31 | Functional ≤ 10μM |
| Z81247-4-O | HeLa (Cervical Adenocarcinoma Cells) (cluster #4 Of 9), Other | Other | 497 | 0.28 | Functional ≤ 10μM |
| Z80156-4-O | HL-60 (Promyeloblast Leukemia Cells) (cluster #4 Of 4), Other | Other | 590 | 0.28 | ADME/T ≤ 10μM |
| Z80362-1-O | P388 (Lymphoma Cells) (cluster #1 Of 2), Other | Other | 740 | 0.28 | ADME/T ≤ 10μM |
| Z80682-2-O | A549 (Lung Carcinoma Cells) (cluster #2 Of 3), Other | Other | 300 | 0.29 | ADME/T ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z80682 | Z80682 | A549 (Lung Carcinoma Cells) | 1600 | 0.26 | Functional ≤ 10μM |
| Z80928 | Z80928 | HCT-116 (Colon Carcinoma Cells) | 136 | 0.31 | Functional ≤ 10μM |
| Z81247 | Z81247 | HeLa (Cervical Adenocarcinoma Cells) | 497 | 0.28 | Functional ≤ 10μM |
| Z80156 | Z80156 | HL-60 (Promyeloblast Leukemia Cells) | 235 | 0.30 | Functional ≤ 10μM |
| Z80362 | Z80362 | P388 (Lymphoma Cells) | 3700 | 0.25 | Functional ≤ 10μM |
| Z80682 | Z80682 | A549 (Lung Carcinoma Cells) | 300 | 0.29 | ADME/T ≤ 10μM |
| Z80156 | Z80156 | HL-60 (Promyeloblast Leukemia Cells) | 590 | 0.28 | ADME/T ≤ 10μM |
| Z80362 | Z80362 | P388 (Lymphoma Cells) | 740 | 0.28 | ADME/T ≤ 10μM |
