UCSF

ZINC05283697

Substance Information

In ZINC since Heavy atoms Benign functionality
January 28th, 2006 14 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) 1.26 4.15 -11.34 0 4 0 52 188.186 2

Vendor Notes

Note Type Comments Provided By
Melting_Point 96-99? Alfa-Aesar
Melting_Point 96-99° Alfa-Aesar

Activity (Go SEA)

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

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