UCSF

ZINC04014501

Substance Information

In ZINC since Heavy atoms Benign functionality
November 1st, 2005 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) 3.60 -0.87 -43.45 0 2 -1 40 372.907 1

Vendor Notes

Note Type Comments Provided By
MP 182-185° (dec) Matrix Scientific
MP 182-185° (dec.) Fluorochem
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 98% Matrix Scientific
Warnings Irritant Matrix Scientific

Activity (Go SEA)

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