UCSF

ZINC49553037

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 5th, 2010 27 No

Popular Name: (1,1,5,10-tetraoxo-3,4-dihydro-2H-[1,4]thiazino[2,3-g]quinolin-7-yl)methyl (1,1,5,10-tetraoxo-3,4-dihydro-2…

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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) -0.91 3.51 -56.71 1 9 1 124 394.429 6 ↓
Hi High (pH 8-9.5) -0.91 1.04 -19.3 0 9 0 123 393.421 6 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z80156-2-O HL-60 (Promyeloblast Leukemia Cells) (cluster #2 Of 12), Other Other 4170 0.28 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z80156 Z80156 HL-60 (Promyeloblast Leukemia Cells) 4170 0.28 Functional ≤ 10μM

Rings

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

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