UCSF

ZINC02013344

Substance Information

In ZINC since Heavy atoms Benign functionality
October 10th, 2004 10 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) 2.48 1.84 -5.58 0 1 0 13 132.162 0

Vendor Notes

Note Type Comments Provided By
BP [°C] 197 - 198 Acros Organics
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
H phrase H315: Causes skin irritation; H319: Causes serious eye irritation Acros Organics
P phrase P264: Wash face, hands and any exposed skin thoroughly after handling Acros Organics
P phrase P280: Wear protective gloves/protective clothing/eye protection/face protection; P302 + P352: IF ON SKIN: Wash with plenty of soap and water; P305 + P351 + P338: IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if presen Acros Organics
R phrase R36/37/38: Irritating to eyes, respiratory system and skin. Acros Organics
S phrase S24/25: Avoid contact with skin and eyes. Acros Organics
Hazard XI: Irritant Acros Organics

Activity (Go SEA)

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