UCSF

ZINC57381074

Substance Information

In ZINC since Heavy atoms Benign functionality
January 20th, 2011 14 Yes

CAS Numbers: 1094544-25-8 , N/A

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) 2.93 6.5 -28.77 3 2 1 30 193.314 4
Mid Mid (pH 6-8) 2.93 6.69 -2.42 2 2 0 29 192.306 4

Vendor Notes

Note Type Comments Provided By
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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