UCSF

ZINC39133756

Substance Information

In ZINC since Heavy atoms Benign functionality
February 5th, 2010 11 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) 0.03 -0.4 -9.68 3 4 0 72 151.169 1
Ref Reference (pH 7) 0.03 -0.34 -9.85 3 4 0 72 151.169 1

Vendor Notes

Note Type Comments Provided By
MP 215-217° Matrix Scientific
Purity 97% Matrix Scientific
Purity >97% Matrix Scientific
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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