UCSF

ZINC76945709

Substance Information

In ZINC since Heavy atoms Benign functionality
September 12th, 2012 32 No

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) -0.09 1.31 -55.64 2 14 -1 220 468.424 11
Hi High (pH 8-9.5) -0.09 2.34 -103.07 1 14 -2 223 467.416 11
Hi High (pH 8-9.5) -0.09 2.34 -107.58 1 14 -2 223 467.416 11

Vendor Notes

Note Type Comments Provided By
Notes Photoreactive -Primary amine reactive IodinatableRef: Ji, T.H, et al(1982) Anal.Biochem. 121, 286-289 Apollo Scientific Bioactives

Activity (Go SEA)

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

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