UCSF

ZINC28654995

Substance Information

In ZINC since Heavy atoms Benign functionality
March 6th, 2009 29 No

CAS Number: 143807-66-3

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) 4.09 11.48 -12.09 1 5 0 59 394.515 4

Vendor Notes

Note Type Comments Provided By
Patent Database Links EP1661886; US2004053786; US2004235959; US2006111403; US2007027154; US2007225336; US2007264299; US2008275061; WO2005118552; WO2006023783; WO2006055922; WO2008150393; WO2008154528 ChEBI

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

No pre-computed analogs available. Try a structural similarity search.