UCSF

ZINC01596324

Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2004 14 No

CAS Number: 2189-60-8

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) 5.82 10.61 -1.49 0 0 0 0 190.33 7

Vendor Notes

Note Type Comments Provided By
Mp [°C] 36 Acros Organics
Melting_Point 36? Alfa-Aesar
Melting_Point 36° Alfa-Aesar
BP [°C] 261 - 263 Acros Organics
Boiling_Point 264-265? Alfa-Aesar
Boiling_Point 264-265° Alfa-Aesar
S phrase S24/25: Avoid contact with skin and eyes. Acros Organics

Activity (Go SEA)

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