UCSF

ZINC01999423

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 10th, 2004 26 No

Popular Name: MDL-73005EF MDL-73005EF

Find On: PubMed — Wikipedia — Google

CAS Number: 124756-23-6

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) 1.45 7.83 -43.72 2 6 1 72 359.446 5 ↓
Mid Mid (pH 6-8) 1.45 6.47 -11.81 1 6 0 68 358.438 5 ↓

Vendor Notes

Note Type Comments Provided By
PUBCHEM_SUBSTANCE_COMMENT NCC_SAMPLE_SUPPLIER : Tocris Cookson Ltd.; NCC_SUPPLIER_STRUCTURE_ID : 0411; 2 hydrogen bromide NIH Clinical Collection via PubChem
PUBCHEM_SUBSTANCE_COMMENT SAMPLE_SUPPLIER: Tocris Bioscience; SUPPLIER_STRUCTURE_ID: 0411; SALT: 2 hydrogen bromide NIH Clinical Collection via PubChem

Activity (Go SEA)

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