UCSF

ZINC03860430

Substance Information

In ZINC since Heavy atoms Benign functionality
October 3rd, 2005 16 No

CAS Number: 5465-13-4

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) 3.36 3.61 -5.7 0 6 0 91 224.216 2

Vendor Notes

Note Type Comments Provided By
MP 210 TCI
H phrase H300: Fatal if swallowed; H310: Fatal in contact with skin; H330: Fatal if inhaled; H410: Very toxic to aquatic life with long lasting effects Acros Organics
P phrase P280: Wear protective gloves/protective clothing; P302 + P350: IF ON SKIN: Gently wash with plenty of soap and water; P310: Immediately call a POISON CENTER or doctor/physician; P260: Do not breathe dust/fume/gas/mist/vapors/spray; P403 + P233: Store in a Acros Organics
R phrase R26/27/28: Very toxic by inhalation, in contact with skin and if swallowed.; R50/53: Very toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment. Acros Organics
Hazard T+: Very toxic; N: Dangerous for the environment Acros Organics

Activity (Go SEA)

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