UCSF

ZINC20385341

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 2008 10 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) 0.81 2.59 -26.35 4 3 1 56 138.194 1
Ref Reference (pH 7) 0.73 3.07 -31.85 3 3 1 52 138.194 1
Mid Mid (pH 6-8) 0.81 2.33 -5.57 3 3 0 55 137.186 1

Vendor Notes

Note Type Comments Provided By
Purity 95% Matrix Scientific
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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