UCSF

ZINC00120199

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 2.51 -53.6 3 1 1 27 244.158 3

Vendor Notes

Note Type Comments Provided By
Mp [°C] 46 - 55 Acros Organics
MP 50-55° Matrix Scientific
Melting_Point 54-60? Alfa-Aesar
Melting_Point 54-60° Alfa-Aesar
Boiling_Point 81-83?/13mm Alfa-Aesar
Boiling_Point 81-83°/13mm Alfa-Aesar
BP [°C] 82 - 84 (p=15 torr) Acros Organics
Purity 85% Fluorochem
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem
Purity 97% Matrix Scientific
Hazard C: Corrosive Acros Organics
Warnings CORROSIVE Matrix Scientific
H phrase H302: Harmful if swallowed Acros Organics
H phrase H302: Harmful if swallowed; H312: Harmful in contact with skin; H314: Causes severe skin burns and eye damage; H318: Causes serious eye damage 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 R21/22: Harmful in contact with skin and if swallowed. Acros Organics
R phrase R21/22: Harmful in contact with skin and if swallowed.; R34: Causes burns. Acros Organics
S phrase S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. Acros Organics
S phrase 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, seek medical advice immediat Acros Organics
Purity tech Fluorochem

Activity (Go SEA)

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