UCSF

ZINC05005072

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Substance Information

In ZINC since Heavy atoms Benign functionality
January 15th, 2006 15 No

Popular Name: SRI-224 SRI-224

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CAS Number: 150059-53-3

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) 1.85 4.3 -12.1 3 4 0 60 223.301 4 ↓

Vendor Notes

Note Type Comments Provided By
melting_point 179 - 181 KeyOrganics

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
TYRO-5-F Tyrosinase (cluster #5 Of 8), Fungal Fungi 110 0.65 Binding ≤ 10μM
Z80035-5-O B16 (Melanoma Cells) (cluster #5 Of 7), Other Other 2700 0.52 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
TYRO_AGABI O42713 Tyrosinase, Agabi 110 0.65 Binding ≤ 1μM
TYRO_AGABI O42713 Tyrosinase, Agabi 110 0.65 Binding ≤ 10μM
Z80035 Z80035 B16 (Melanoma Cells) 2700 0.52 Functional ≤ 10μM

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

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