UCSF

ZINC02572827

Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2004 14 Yes

CAS Number: 1571-86-4

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) 5.67 10.49 -1.34 0 0 0 0 190.33 6

Vendor Notes

Note Type Comments Provided By
Melting_Point 31? Alfa-Aesar
Melting_Point 31° Alfa-Aesar
Boiling_Point 227? Alfa-Aesar
Boiling_Point 227° Alfa-Aesar

Activity (Go SEA)

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