UCSF

ZINC00154060

Substance Information

In ZINC since Heavy atoms Benign functionality
November 15th, 2005 13 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) 1.74 5.93 -34.58 3 2 1 30 179.287 4

Vendor Notes

Note Type Comments Provided By
BP 168-171°/1mm Matrix Scientific
Purity 90+% Matrix Scientific
BP 92-97°/0.15mm Oakwood Chemical
Warnings Irritant Matrix Scientific

Activity (Go SEA)

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