| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 7th, 2004 | 19 | No |
Popular Name: DNC007851 DNC007851
| 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) | 2.71 | 2.12 | -15.09 | 0 | 5 | 0 | 79 | 253.213 | 1 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ACES-10-E | Acetylcholinesterase (cluster #10 Of 12), Eukaryotic | Eukaryotes | 850 | 0.45 | Binding ≤ 10μM |
| CHLE-1-E | Butyrylcholinesterase (cluster #1 Of 7), Eukaryotic | Eukaryotes | 1670 | 0.43 | Binding ≤ 10μM |
| EST1-1-E | Carboxylesterase (cluster #1 Of 7), Eukaryotic | Eukaryotes | 16 | 0.57 | Binding ≤ 10μM |
| PTPRC-3-E | Leukocyte Common Antigen (cluster #3 Of 3), Eukaryotic | Eukaryotes | 2400 | 0.41 | Binding ≤ 10μM |
| Z81338-1-O | T-cells (cluster #1 Of 3), Other | Other | 1600 | 0.43 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ACES_HUMAN | P22303 | Acetylcholinesterase, Human | 850 | 0.45 | Binding ≤ 1μM |
| EST1_HUMAN | P23141 | Acyl Coenzyme A:cholesterol Acyltransferase, Human | 15.9 | 0.57 | Binding ≤ 1μM |
| ACES_HUMAN | P22303 | Acetylcholinesterase, Human | 850 | 0.45 | Binding ≤ 10μM |
| EST1_HUMAN | P23141 | Acyl Coenzyme A:cholesterol Acyltransferase, Human | 15.9 | 0.57 | Binding ≤ 10μM |
| CHLE_HUMAN | P06276 | Butyrylcholinesterase, Human | 1670 | 0.43 | Binding ≤ 10μM |
| PTPRC_HUMAN | P08575 | Leukocyte Common Antigen, Human | 2400 | 0.41 | Binding ≤ 10μM |
| Z81338 | Z81338 | T-cells | 1600 | 0.43 | Functional ≤ 10μM |
| Description | Species |
|---|---|
| Neurotransmitter Clearance In The Synaptic Cleft | |
| Other semaphorin interactions | |
| Phosphorylation of CD3 and TCR zeta chains | |
| Synthesis of PC | |
| Synthesis, secretion, and deacylation of Ghrelin |
No pre-computed analogs available. Try a structural similarity search.