UCSF

ZINC38577668

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Substance Information

In ZINC since Heavy atoms Benign functionality
January 27th, 2010 33 No

Popular Name: butyl butyl

Find On: PubMed — Wikipedia — Google

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) 5.12 6.02 -64.57 0 8 -1 122 489.595 11 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Q2XUH7-1-E Angiotensin Type II Receptor (cluster #1 Of 1), Eukaryotic Eukaryotes 14 0.33 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Q2XUH7_PIG Q2XUH7 Angiotensin Type II Receptor, Pig 13.8 0.33 Binding ≤ 1μM
Q2XUH7_PIG Q2XUH7 Angiotensin Type II Receptor, Pig 13.8 0.33 Binding ≤ 10μM

Rings

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

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