UCSF

ZINC00164760

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) 2.90 6.02 -3.12 0 0 0 0 207.017 1

Vendor Notes

Note Type Comments Provided By
Boiling_Point 64-65?/4.5mm Alfa-Aesar
Boiling_Point 64-65°/4.5mm Alfa-Aesar
BP [°C] 65 (p=4.5 torr) Acros Organics
BP 65 / 4.5 TCI
BP 65°/5mm Matrix Scientific
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 97% APIChem
Purity 98% Matrix Scientific
Hazard C: Corrosive Acros Organics
Warnings Corrosive/Refrigerate/Lachrymator Matrix Scientific
Warnings LACHRYMATOR, CORROSIVE Matrix Scientific
R phrase R22: Harmful if swallowed. Acros Organics
R phrase R22: Harmful if swallowed.; R34: Causes burns. Acros Organics
S phrase S23: Do not breathe gas/fumes/vapour/spray. Acros Organics
S phrase S23: Do not breathe gas/fumes/vapour/spray.; 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 Acros Organics

Activity (Go SEA)

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

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