UCSF

ZINC01673392

Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2004 6 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) 2.53 -0.32 -2.1 0 0 0 0 163.039 0

Vendor Notes

Note Type Comments Provided By
Mp [°C] 10 Acros Organics
BP [°C] 149 - 151 Acros Organics
BP 149-151° Matrix Scientific
Boiling_Point 149-152? Alfa-Aesar
Boiling_Point 149-152° Alfa-Aesar
BP 154 TCI
Purity 98% Matrix Scientific
Melting_Point <-10? Alfa-Aesar
Melting_Point <-10° Alfa-Aesar
Warnings Flammable/Toxic Matrix Scientific
H phrase H315: Causes skin irritation Acros Organics
H phrase H315: Causes skin irritation; H319: Causes serious eye irritation; H301: Toxic if swallowed; H310: Fatal in contact with skin; H330: Fatal if inhaled; H226: Flammable liquid and vapor Acros Organics
P phrase P280: Wear protective gloves/protective clothing/eye protection/face protection Acros Organics
P phrase P280: Wear protective gloves/protective clothing/eye protection/face protection; P312: Call a POISON CENTER or doctor/physician if you feel unwell; P305 + P351 + P338: IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if Acros Organics
R phrase R10: Flammable. Acros Organics
R phrase R10: Flammable.; R22: Harmful if swallowed.; R23/24: Toxic by inhalation and in contact with skin.; R36/37/38: Irritating to eyes, respiratory system and skin.; R51/53: Toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environ Acros Organics
S phrase S16: Keep away from sources of ignition - No smoking. Acros Organics
S phrase S16: Keep away from sources of ignition - No smoking.; 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 accid Acros Organics
Hazard T: Toxic Acros Organics
Hazard T: Toxic; N: Dangerous for the environment Acros Organics
Warnings TOXIC, FLAMMABLE Matrix Scientific

Activity (Go SEA)

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

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