UCSF

ZINC01659810

Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2004 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) -3.84 -9.49 -46.76 3 6 0 102 213.255 7

Vendor Notes

Note Type Comments Provided By
M.P 150-155 °C Indofine
Mp [°C] 152 - 154 Acros Organics
Melting_Point 153-157? Alfa-Aesar
Melting_Point 153-157° Alfa-Aesar
MP 155 TCI
Mp [°C] 155.6 - 156.5 Acros Organics
Purity 99% Fluorochem
Notes Biological buffer - useful range 6.4 - 7.8 Apollo Scientific Bioactives
SOLUBILITY H2O: 1 M at 20 °C, clear, colorless Indofine
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 P261: Avoid breathing dust/fume/gas/mist/vapors/spray Acros Organics
P phrase P261: Avoid breathing dust/fume/gas/mist/vapors/spray; 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 cautiously with water Acros Organics
P phrase P262: Do not get in eyes, on skin, or on clothing 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
S phrase S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. Acros Organics
S phrase S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.; S37/39: Wear suitable gloves and eye/face protection. Acros Organics
Hazard XI: Irritant Acros Organics

Activity (Go SEA)

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

No pre-computed analogs available. Try a structural similarity search.