UCSF

ZINC43827760

Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 2010 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) 0.24 3.69 -49.04 0 4 -1 70 164.14 2

Vendor Notes

Note Type Comments Provided By
melting_point 179 KeyOrganics
MP 179°(dec) Matrix Scientific
Purity 97% Matrix Scientific
Purity >95% Matrix Scientific
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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