UCSF

ZINC30678138

Substance Information

In ZINC since Heavy atoms Benign functionality
April 1st, 2009 11 Yes

CAS Numbers: 1006-47-9 , [1006-47-9]

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) 2.98 6.09 -6.83 0 1 0 13 255.058 0

Vendor Notes

Note Type Comments Provided By
Purity 95% Fluorochem
Purity 98% Matrix Scientific
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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