UCSF

ZINC00399836

Substance Information

In ZINC since Heavy atoms Benign functionality
December 7th, 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) -1.85 -0.07 -53.7 1 4 -1 69 156.161 4

Vendor Notes

Note Type Comments Provided By
Mp [°C] 101 - 106 Acros Organics
MP 114 - 116 Enamine Building Blocks
MP 114...116 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks

Activity (Go SEA)

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

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