UCSF

ZINC43208325

Substance Information

In ZINC since Heavy atoms Benign functionality
May 9th, 2010 37 Yes

CAS Numbers: 945595-80-2 , [945595-80-2]

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) 6.04 12.75 -23.13 3 8 0 112 503.591 6

Vendor Notes

Note Type Comments Provided By
Target Aurora Kinase Selleck Chemicals

Activity (Go SEA)

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

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