| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 25th, 2008 | 22 | Yes |
Popular Name: butylBLAHamine butylBLAHamine
| 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) | 6.18 | 9.99 | -24.51 | 3 | 2 | 1 | 40 | 293.434 | 3 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ACES-1-E | Acetylcholinesterase (cluster #1 Of 12), Eukaryotic | Eukaryotes | 280 | 0.42 | Binding ≤ 10μM |
| Z50418-2-O | Trypanosoma Brucei (cluster #2 Of 6), Other | Other | 700 | 0.39 | Functional ≤ 10μM |
| Z50426-1-O | Plasmodium Falciparum (isolate K1 / Thailand) (cluster #1 Of 9), Other | Other | 5990 | 0.33 | Functional ≤ 10μM |
| Z81135-3-O | L6 (Skeletal Muscle Myoblast Cells) (cluster #3 Of 6), Other | Other | 6750 | 0.33 | ADME/T ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ACES_BOVIN | P23795 | Acetylcholinesterase, Bovin | 280 | 0.42 | Binding ≤ 1μM |
| ACES_BOVIN | P23795 | Acetylcholinesterase, Bovin | 280 | 0.42 | Binding ≤ 10μM |
| Z50426 | Z50426 | Plasmodium Falciparum (isolate K1 / Thailand) | 5990 | 0.33 | Functional ≤ 10μM |
| Z50418 | Z50418 | Trypanosoma Brucei | 700 | 0.39 | Functional ≤ 10μM |
| Z81135 | Z81135 | L6 (Skeletal Muscle Myoblast Cells) | 6750 | 0.33 | ADME/T ≤ 10μM |
| Description | Species |
|---|---|
| Neurotransmitter Clearance In The Synaptic Cleft | |
| Synthesis of PC |
No pre-computed analogs available. Try a structural similarity search.
