UCSF

ZINC01699380

Substance Information

In ZINC since Heavy atoms Benign functionality
October 8th, 2004 7 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) 2.74 5.38 -0.29 0 0 0 0 96.173 1

Vendor Notes

Note Type Comments Provided By
BP 100 TCI
BP [°C] 97 Acros Organics
Boiling_Point 97? Alfa-Aesar
Boiling_Point 97° Alfa-Aesar
Hazard F: Highly flammable Acros Organics
H phrase H225: Highly flammable liquid and vapor Acros Organics
P phrase P210: Keep away from heat/sparks/open flames/hot surfaces. - No smoking Acros Organics
P phrase P210: Keep away from heat/sparks/open flames/hot surfaces. - No smoking; P240: Ground/Bond container and receiving equipment Acros Organics
R phrase R11: Highly flammable. Acros Organics
S phrase S16: Keep away from sources of ignition - No smoking. Acros Organics

Activity (Go SEA)

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

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