| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 8th, 2008 | 14 | Yes |
Popular Name: 1-Methyl-2,3,4,9-tetrahydro-1H-ß-carboline 1-Methyl-2,3,4,9-tetrahydro-1H-Å
1-methyl-1H,2H,3H,4H,9H-pyrido[3,4-b]indole
1-methyl-1H,2H,3H,4H,9H-pyrido[3,4-b]indole hydrochloride
1-methyl-2,3,4,9-tetrahydro-1H-beta-carboline
1-Methyl-2,3,4,9-tetrahydro-1H-beta-carboline hydrochloride
1-Methyl-2,3,4,9-tetrahydro-1H-beta-carbolinehydrochloride
1-Methyl-2,3,4,9-tetrahydro-1H-Å-carboline
Eleagnine hydrochloride (R,S); Prestwick_193
METHYLTETRAHYDROBETACARBOLINEHYDROCHLORID
| 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) | 2.49 | 3.89 | -5.57 | 2 | 2 | 0 | 28 | 186.258 | 0 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| MP | 253-254° | Matrix Scientific |
| MP | 268 - 270 | Enamine Building Blocks |
| MP | 268...270 | Enamine Building Blocks |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Warnings | IRRITANT | Matrix Scientific |
| PUBCHEM_SUBSTANCE_COMMENT | not available | PDSP via PubChem |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50425-3-O | Plasmodium Falciparum (cluster #3 Of 22), Other | Other | 7500 | 0.51 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50425 | Z50425 | Plasmodium Falciparum | 7500 | 0.51 | Functional ≤ 10μM |
