In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 20th, 2009 | 20 | No |
Popular Name: 1-[(4-chloro-3-nitrophenyl)sulfonyl]-4-methylpiperazine 1-[(4-chloro-3-nitrophenyl)sulfo…
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CAS Number: 324068-31-7
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) | 1.71 | 3.08 | -11.04 | 0 | 7 | 0 | 86 | 319.77 | 3 | ↓ |
Note Type | Comments | Provided By |
---|---|---|
MP | 124 - 126 | Enamine Building Blocks |
MP | 124...126 | Enamine Building Blocks |
melting_point | 134 - 136 | KeyOrganics |
MP | 276 - 278 | Enamine Building Blocks |
purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
---|---|---|---|---|---|
VCAM1-1-E | Vascular Cell Adhesion Protein 1 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 8000 | 0.36 | Binding ≤ 10μM |
Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
---|---|---|---|---|---|
VCAM1_HUMAN | P19320 | Vascular Cell Adhesion Protein 1, Human | 8000 | 0.36 | Binding ≤ 10μM |
Description | Species |
---|---|
Immunoregulatory interactions between a Lymphoid and a non-Lymphoid cell | |
Integrin cell surface interactions | |
Interferon gamma signaling |