UCSF

ZINC19735285

Substance Information

In ZINC since Heavy atoms Benign functionality
November 8th, 2008 9 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) -0.85 -2.19 -34.54 3 3 1 40 133.215 5
Mid Mid (pH 6-8) -0.85 -1.13 -35.51 3 3 1 37 133.215 5

Vendor Notes

Note Type Comments Provided By
BP 110-115°/10 Torr Matrix Scientific
BP 110-115°/10mm Oakwood Chemical
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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