UCSF

ZINC00597739

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 4th, 2005 27 Yes

Popular Name: 4-([3,4-dichlorophenyl]acetyl)-3-(1-pyrrolidinylmethyl)-1-piperazinecarboxylic acid methyl ester fumarate 4-([3,4-dichlorophenyl]acetyl)-3…

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CAS Number: 126766-32-3

Download: MOL2 SDF SMILES Flexibase

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) 2.91 9.68 -38.94 1 6 1 54 415.341 5 ↓

Vendor Notes

Note Type Comments Provided By
PUBCHEM_SUBSTANCE_COMMENT NCC_SAMPLE_SUPPLIER : Tocris Cookson Ltd.; NCC_SUPPLIER_STRUCTURE_ID : 1483; 1 fumaric acid NIH Clinical Collection via PubChem
PUBCHEM_SUBSTANCE_COMMENT SAMPLE_SUPPLIER: Tocris Bioscience; SUPPLIER_STRUCTURE_ID: 1483; SALT: 1 fumaric acid NIH Clinical Collection via PubChem

Activity (Go SEA)

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