In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 7th, 2004 | 12 | No |
Popular Name: 1-Aziridinecarboxanilide 1-Aziridinecarboxanilide
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CAS Number: 13279-22-6
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) | 1.55 | 2.94 | -13.36 | 1 | 3 | 0 | 32 | 162.192 | 1 | ↓ |
Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
---|---|---|---|---|---|
Z80193-10-O | L1210 (Lymphocytic Leukemia Cells) (cluster #10 Of 12), Other | Other | 5800 | 0.61 | Functional ≤ 10μM |
Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
---|---|---|---|---|---|
Z80193 | Z80193 | L1210 (Lymphocytic Leukemia Cells) | 2100 | 0.66 | Functional ≤ 10μM |
No pre-computed analogs available. Try a structural similarity search.