UCSF

ZINC02567666

Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2004 20 Yes

CAS Numbers: 66713-87-9 , 75113-71-2 , [66713-87-9]

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) 2.01 5.2 -104.83 1 7 -2 119 287.312 10

Vendor Notes

Note Type Comments Provided By
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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