UCSF

ZINC13684548

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Substance Information

In ZINC since Heavy atoms Benign functionality
June 23rd, 2008 14 Yes

Popular Name: 1-(1H-inden-2-yl)imidazole 1-(1H-inden-2-yl)imidazole

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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) 1.89 9.09 -5.99 0 2 0 18 182.226 1 ↓
Mid Mid (pH 6-8) 1.89 9.59 -32.89 1 2 1 19 183.234 1 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
C11B2-2-E Cytochrome P450 11B2 (cluster #2 Of 2), Eukaryotic Eukaryotes 448 0.63 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
C11B2_HUMAN P19099 Cytochrome P450 11B2, Human 448 0.63 Binding ≤ 1μM
C11B2_HUMAN P19099 Cytochrome P450 11B2, Human 448 0.63 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Endogenous sterols
Glucocorticoid biosynthesis
Mineralocorticoid biosynthesis

Rings

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

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