UCSF

ZINC00077278

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 5th, 2005 13 Yes

Popular Name: 5-Fluorotryptamine hydrochloride 5-Fluorotryptamine hydrochloride

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CAS Numbers: 2711-58-2 , 576-16-9 , [2711-58-2] , [576-16-9]

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

Physical Representations

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) 0.24 3.43 -47.2 4 2 1 43 179.218 2 ↓

Vendor Notes

Note Type Comments Provided By
MP 277-283° Oakwood Chemical
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem
Purity 97% Fluorochem
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
PERM-1-E Myeloperoxidase (cluster #1 Of 2), Eukaryotic Eukaryotes 940 0.65 Binding ≤ 10μM
Z50597-10-O Rattus Norvegicus (cluster #10 Of 12), Other Other 130 0.74 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
PERM_HUMAN P05164 Myeloperoxidase, Human 200 0.72 Binding ≤ 1μM
PERM_HUMAN P05164 Myeloperoxidase, Human 200 0.72 Binding ≤ 10μM
Z50597 Z50597 Rattus Norvegicus 130 0.74 Functional ≤ 10μM

Analogs ( Draw Identity 99% 90% 80% 70% )