UCSF

ZINC02094254

Substance Information

In ZINC since Heavy atoms Benign functionality
October 12th, 2004 18 Yes

CAS Numbers: 102518-79-6 , 120786-18-7 , [102518-79-6]

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) 2.65 -1.89 -54.12 4 3 1 60 243.33 0
Mid Mid (pH 6-8) 3.11 -3.29 -50.81 4 3 1 60 243.33 0

Vendor Notes

Note Type Comments Provided By
Target AChR & GluR Selleck Chemicals
PUBCHEM_SUBSTANCE_COMMENT NCC_SAMPLE_SUPPLIER : Sequoia Research Products Ltd.; NCC_SUPPLIER_STRUCTURE_ID : SRP02175h NIH Clinical Collection via PubChem
Target NULL Selleck Chemicals
PUBCHEM_SUBSTANCE_COMMENT SAMPLE_SUPPLIER: Sequoia Research Products Ltd.; SUPPLIER_STRUCTURE_ID: SRP02175h NIH Clinical Collection via PubChem
PUBCHEM_PATENT_ID US5177082 IBM Patent Data

Activity (Go SEA)

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