UCSF

ZINC01436235

Substance Information

In ZINC since Heavy atoms Benign functionality
August 17th, 2004 14 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

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) 1.14 2.18 -6.23 1 4 0 50 201.266 2

Vendor Notes

Note Type Comments Provided By
Mp [°C] 40 - 42 Acros Organics
MP 43-50° Oakwood Chemical
Melting_Point 46-50? Alfa-Aesar
Melting_Point 46-50° Alfa-Aesar
Melting_Point 66-70? Alfa-Aesar
Melting_Point 66-70° Alfa-Aesar
MP 67-68.5° Oakwood Chemical
MP 68 TCI
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 97% Fluorochem
Purity 98% Fluorochem
H phrase H301: Toxic if swallowed Acros Organics
H phrase H301: Toxic if swallowed; H315: Causes skin irritation; H319: Causes serious eye irritation; H335: May cause respiratory irritation Acros Organics
Warnings IRRITANT Matrix Scientific
P phrase P264: Wash face, hands and any exposed skin thoroughly after handling Acros Organics
P phrase P264: Wash face, hands and any exposed skin thoroughly after handling; P280: Wear protective gloves/protective clothing/eye protection/face protection; P301 + P310: IF SWALLOWED: Immediately call a POISON CENTER or doctor/physician; P301 + P330 + P331: IF Acros Organics
R phrase R25: Toxic if swallowed. Acros Organics
R phrase R25: Toxic if swallowed.; R36/37/38: Irritating to eyes, respiratory system and skin. 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.; S36/37/39: Wear suitable protective clothing, gloves and eye/face protection.; S45: In case of accident or if you feel unwell, seek medical advice immediat Acros Organics
Hazard T: Toxic Acros Organics

Activity (Go SEA)

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