UCSF

ZINC04262409

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2005 14 No

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) 4.42 2.74 -2.25 0 2 0 26 218.724 3

Vendor Notes

Note Type Comments Provided By
BP [°C] 108 - 109 (p=11 torr) Acros Organics
H phrase H314: Causes severe skin burns and eye damage Acros Organics
H phrase H314: Causes severe skin burns and eye damage; H331: Toxic if inhaled; EUH029: Contact with water liberates toxic gas 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; P308 + P313: IF exposed or concerned: Get medical advice/attention; P305 + P351 + P338: IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if Acros Organics
R phrase R23: Toxic by inhalation. Acros Organics
R phrase R23: Toxic by inhalation.; R29: Contact with water liberates toxic gas.; R34: Causes burns. Acros Organics
S phrase S8: Keep container dry. Acros Organics
S phrase S8: Keep container dry.; 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, see Acros Organics
Hazard T: Toxic Acros Organics

Activity (Go SEA)

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