| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 5th, 2010 | 19 | No |
Popular Name: N-[(1R)-3-chloro-1-(octylsulfanylmethyl)-2-oxo-propyl]acetamide N-[(1R)-3-chloro-1-(octylsulfany…
| 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) | 3.21 | 8.96 | -11.53 | 1 | 3 | 0 | 46 | 307.887 | 12 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z80284-1-O | MOLT-3 (T-lymphoblastic Leukemia Cells) (cluster #1 Of 3), Other | Other | 4100 | 0.40 | Functional ≤ 10μM |
| Z80304-1-O | NALM-6 (Pre-B-cell Line) (cluster #1 Of 3), Other | Other | 5600 | 0.39 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z80284 | Z80284 | MOLT-3 (T-lymphoblastic Leukemia Cells) | 4100 | 0.40 | Functional ≤ 10μM |
| Z80304 | Z80304 | NALM-6 (Pre-B-cell Line) | 5600 | 0.39 | Functional ≤ 10μM |
