UCSF

ZINC72319585

Substance Information

In ZINC since Heavy atoms Benign functionality
May 27th, 2012 31 No

CAS Numbers: 1202757-89-8 , 3022-15-9

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) 4.50 10.03 -13.33 3 8 0 97 423.448 10

Vendor Notes

Note Type Comments Provided By
Target BTK Selleck Chemicals

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

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