UCSF

ZINC00156525

Substance Information

In ZINC since Heavy atoms Benign functionality
November 7th, 2005 15 Yes

CAS Numbers: 4089-07-0 , 949-67-7

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) 0.74 2.18 -44 4 4 1 74 210.253 5

Vendor Notes

Note Type Comments Provided By
Melting_Point 166-168? Alfa-Aesar
Melting_Point 166-168° Alfa-Aesar
Purity 99% min APIChem

Activity (Go SEA)

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