UCSF

ZINC21982006

Substance Information

In ZINC since Heavy atoms Benign functionality
December 11th, 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) 1.15 2.77 -5.18 0 2 0 22 123.155 1
Lo Low (pH 4.5-6) 1.15 3.15 -30.43 1 2 1 23 124.163 1

Vendor Notes

Note Type Comments Provided By
Purity 95% Fluorochem
H phrase H315: Causes skin irritation; H319: Causes serious eye irritation; H335: May cause respiratory irritation Acros Organics
R phrase R36/37/38: Irritating to eyes, respiratory system and skin. Acros Organics
Hazard XI: Irritant Acros Organics

Activity (Go SEA)

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