UCSF

ZINC00389522

Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2004 11 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) 2.91 2.69 -4 0 2 0 26 170.595 2

Vendor Notes

Note Type Comments Provided By
BP [°C] 99.5 (p=20 torr) Acros Organics
Hazard C: Corrosive Acros Organics
PUBCHEM_PATENT_ID EP0463873A1; EP0549364A1; EP0549364B1; EP0686635A1; EP0790235A1; EP0812835A1; US5470851; US5488089; US5843983; US5891898; US5925658 IBM Patent Data
H phrase H302: Harmful if swallowed Acros Organics
H phrase H302: Harmful if swallowed; H318: Causes serious eye damage; H314: Causes severe skin burns and eye damage; H332: Harmful if inhaled; H312: Harmful in contact with skin 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; P301 + P330 + P331: IF SWALLOWED: rinse mouth. Do NOT induce vomiting; P280: Wear eye protection/face protection; P305 + P351 + P338: IF IN EYES: Rinse cautiously with water Acros Organics
R phrase R20/21/22: Harmful by inhalation, in contact with skin and if swallowed. Acros Organics
R phrase R20/21/22: Harmful by inhalation, in contact with skin and if swallowed.; R34: Causes burns. Acros Organics
S phrase S25: Avoid contact with eyes. Acros Organics
S phrase S25: Avoid contact with eyes.; 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 immediately (show the label where possible). Acros Organics

Activity (Go SEA)

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