UCSF

ZINC03880881

Substance Information

In ZINC since Heavy atoms Benign functionality
October 5th, 2005 13 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) 2.84 -2.53 -41.47 3 4 1 54 187.263 3
Hi High (pH 8-9.5) -2.68 -6.61 -16.63 4 9 0 134 283.24 2

Vendor Notes

Note Type Comments Provided By
Melting_Point 50-54? Alfa-Aesar
Melting_Point 50-54° Alfa-Aesar
Melting_Point 54? Alfa-Aesar
Melting_Point 54° Alfa-Aesar
MP 67 - 69 Enamine Building Blocks
MP 67...69 Enamine Building Blocks
MP 67° Fluorochem
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem
Purity 95+% Matrix Scientific
Purity 97% Fluorochem
Purity 98% Fluorochem
Purity 99% Fluorochem
Purity >95% Matrix Scientific
H phrase H315: Causes skin irritation; H319: Causes serious eye irritation; H335: May cause respiratory irritation Acros Organics
Warnings IRRITANT Matrix Scientific
P phrase P280: Wear protective gloves/protective clothing/eye protection/face protection; P312: Call a POISON CENTER or doctor/physician if you feel unwell; P302 + P352: IF ON SKIN: Wash with plenty of soap and water; P304 + P340: IF INHALED: Remove to fresh air a Acros Organics
R phrase R36/37/38: Irritating to eyes, respiratory system and skin. Acros Organics
Hazard XI: Irritant Acros Organics

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