UCSF

ZINC10634597

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 5th, 2007 30 Yes

Popular Name: ethyl ethyl

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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) 3.58 12.93 -17.06 1 7 0 89 412.417 10 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
TYDP1-2-E Tyrosyl-DNA Phosphodiesterase 1 (cluster #2 Of 2), Eukaryotic Eukaryotes 7940 0.24 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
TYDP1_HUMAN Q9NUW8 Tyrosyl-DNA Phosphodiesterase 1, Human 7940 0.24 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Processing of DNA ends prior to end rejoining

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

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