UCSF

ZINC04265957

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2005 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) 1.89 1.86 -6.82 1 1 0 20 196.09 3

Vendor Notes

Note Type Comments Provided By
BP 119-121°/747mm Matrix Scientific
Purity 97% Matrix Scientific
Warnings Irritant Matrix Scientific

Activity (Go SEA)

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