UCSF

ZINC02504411

Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2004 10 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) 1.21 -0.31 -4.62 2 2 0 40 146.23 3

Vendor Notes

Note Type Comments Provided By
BP 127 / 32 TCI
BP [°C] 214 - 215 Acros Organics
Boiling_Point 214-215? Alfa-Aesar
Boiling_Point 214-215° Alfa-Aesar
Melting_Point 87-91? Alfa-Aesar
Melting_Point 87-91° Alfa-Aesar
Mp [°C] 88 - 91 Acros Organics
MP 89 TCI
Purity 97% Fluorochem
S phrase S24/25: Avoid contact with skin and eyes. Acros Organics

Activity (Go SEA)

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