UCSF

ZINC01591808

Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2004 8 Yes

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) 2.03 -1.19 -1.91 1 1 0 20 114.188 0

Vendor Notes

Note Type Comments Provided By
BP 155 TCI
BP [°C] 168 (p=752 torr) Acros Organics
Boiling_Point 168-169? Alfa-Aesar
Boiling_Point 168-169° Alfa-Aesar
Melting_Point 25-27? Alfa-Aesar
Melting_Point 25-27° Alfa-Aesar
Mp [°C] 26 Acros Organics
H phrase H332: Harmful if inhaled Acros Organics
P phrase P304 + P340: IF INHALED: Remove victim to fresh air and keep at rest in a position comfortable for breathing Acros Organics
R phrase R20: Harmful by inhalation. Acros Organics
Hazard XN: Harmful Acros Organics

Activity (Go SEA)

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