UCSF

ZINC00153408

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 9 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) 2.47 0.12 -7.28 0 1 0 17 205.076 1

Vendor Notes

Note Type Comments Provided By
Boiling_Point 102-105?/4mm Alfa-Aesar
BP 102-105°/4mm Matrix Scientific
Melting_Point 41-45? Alfa-Aesar
MP 41-45° Matrix Scientific
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem
Purity 97% Matrix Scientific
Warnings IRRITANT Matrix Scientific
Warnings Irritant/Light Sensitive Matrix Scientific
melting_point Oil KeyOrganics

Activity (Go SEA)

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