UCSF

ZINC26577491

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Substance Information

In ZINC since Heavy atoms Benign functionality
February 8th, 2009 25 No

Popular Name: CPD000468732; CCPA CPD000468732; CCPA

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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) 1.92 0.11 -15.8 4 9 0 126 369.809 4 ↓

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0689405A1; EP0755255A1; EP0880353A1; US5206222; US5424297; US5443836; US5573772; US5679650; US5773306; US5773423; US5773424; US5942497; US5998423; WO1994021195A1; WO1995001356A1; WO1995002604A1; WO1996018398A1; WO1997044665A1; WO1998050047A1; WO19990202 IBM Patent Data
PUBCHEM_SUBSTANCE_COMMENT NCC_SAMPLE_SUPPLIER : Tocris Cookson Ltd.; NCC_SUPPLIER_STRUCTURE_ID : 100086; 1 water NIH Clinical Collection via PubChem
PUBCHEM_SUBSTANCE_COMMENT SAMPLE_SUPPLIER: Tocris Bioscience; SUPPLIER_STRUCTURE_ID: 100086; SALT: 1 water NIH Clinical Collection via PubChem

Activity (Go SEA)

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