UCSF

ZINC15635539

Substance Information

In ZINC since Heavy atoms Benign functionality
July 28th, 2008 12 Yes

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) -1.18 0.49 -5.34 3 3 0 55 162.192 0
Mid Mid (pH 6-8) -1.18 0.81 -44.2 4 3 1 57 163.2 0
Mid Mid (pH 6-8) -1.18 0.81 -44.08 4 3 1 57 163.2 0

Vendor Notes

Note Type Comments Provided By
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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