UCSF

ZINC35328014

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 6th, 2009 33 No

Popular Name: Ibrutinib Ibrutinib

Find On: PubMed — Wikipedia — Google

CAS Numbers: 936563-87-0 , 936563-96-1 , [936563-96-1]

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) 3.51 11.6 -12.09 2 8 0 99 440.507 5 ↓

Vendor Notes

Note Type Comments Provided By
Target Src Selleck Chemicals

Activity (Go SEA)

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

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