UCSF

ZINC43206649

Substance Information

In ZINC since Heavy atoms Benign functionality
May 9th, 2010 26 Yes

CAS Numbers: 1166227-08-2 , [1166227-08-2]

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) 2.81 5.39 -23.79 3 7 0 101 393.538 4

Vendor Notes

Note Type Comments Provided By
Target PI3K Selleck Chemicals

Activity (Go SEA)

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

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