UCSF

ZINC34926922

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2009 15 No

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) 1.72 6.25 -48.52 5 4 1 64 241.727 1
Mid Mid (pH 6-8) 1.85 6.07 -12.06 4 4 0 60 240.719 1
Mid Mid (pH 6-8) 1.85 6.01 -50.94 5 4 1 62 241.727 1

Vendor Notes

Note Type Comments Provided By
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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