UCSF

ZINC02534484

Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2004 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) 0.78 3.56 -4.6 2 1 0 26 117.151 0

Vendor Notes

Note Type Comments Provided By
Mp [°C] 100 - 102 Acros Organics
melting_point 103 - 104 KeyOrganics
MP 104 TCI
Purity 95% Fluorochem
H phrase H315: Causes skin irritation Acros Organics
H phrase H315: Causes skin irritation; H319: Causes serious eye irritation; H335: May cause respiratory irritation Acros Organics
P phrase P101: If medical advice is needed, have product container or label at hand Acros Organics
P phrase P101: If medical advice is needed, have product container or label at hand; P302 + P352: IF ON SKIN: Wash with plenty of soap and water; P280: Wear protective gloves/protective clothing/eye protection/face protection; P305 + P351 + P338: IF IN EYES: Rinse Acros Organics

Activity (Go SEA)

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