UCSF

ZINC21991797

Substance Information

In ZINC since Heavy atoms Benign functionality
December 11th, 2008 19 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) 4.04 8.29 -7.31 0 2 0 18 272.369 3

Vendor Notes

Note Type Comments Provided By
Purity ¡Ý98.0£¥ (HPLC) APIChem

Activity (Go SEA)

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

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