UCSF

ZINC02568263

Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2004 22 Yes

CAS Numbers: 1159-53-1 , [1159-53-1]

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) 6.78 3.58 -4.33 0 1 0 3 287.406 3

Vendor Notes

Note Type Comments Provided By
Melting_Point 114-118? lit. Alfa-Aesar
MP 117 TCI
BP 170 / 0.1 TCI
Purity 95% Fluorochem

Activity (Go SEA)

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