UCSF

ZINC66166864

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
August 20th, 2011 36 Yes

Popular Name: CH5424802 CH5424802

Find On: PubMed — Wikipedia — Google

CAS Numbers: 1256580-46-7 , [1256580-46-7]

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) 5.28 11.8 -13.82 1 6 0 72 482.628 3 ↓
Mid Mid (pH 6-8) 5.28 14.26 -56.52 2 6 1 74 483.636 3 ↓

Vendor Notes

Note Type Comments Provided By
Target ALK Selleck Chemicals
UniProt Database Links ALK_HUMAN; ALK_MOUSE ChEBI

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Rings

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

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