UCSF

ZINC14589005

Substance Information

In ZINC since Heavy atoms Benign functionality
July 12th, 2008 11 No

CAS Numbers: 115028-56-3 , 499781-64-5 , 6091-50-5 , 89-81-6

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) 3.20 6.19 -6.61 0 1 0 17 152.237 1

Vendor Notes

Note Type Comments Provided By
MP 29 TCI
BP 235 TCI
UniProt Database Links MFS_MENPI ChEBI
Patent Database Links US2008274064 ChEBI

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