UCSF

ZINC00394995

Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2004 11 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) 1.18 2.91 -10.1 0 2 0 34 170.233 2

Vendor Notes

Note Type Comments Provided By
BP 103 / 1 TCI
Mp [°C] 39 - 43 Acros Organics
MP 40-42° Fluorochem
Melting_Point 40-44? Alfa-Aesar
Melting_Point 40-44° Alfa-Aesar
MP 42 TCI
Purity 98% Fluorochem
Purity 99%min APIChem
S phrase S24/25: Avoid contact with skin and eyes. Acros Organics

Activity (Go SEA)

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

No pre-computed analogs available. Try a structural similarity search.