UCSF

ZINC00167633

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 16 Yes

Popular Name: 1-Benzylbenzoimidazole 1-Benzylbenzoimidazole

Find On: PubMed — Wikipedia — Google

CAS Numbers: 141437-85-6 , 4981-92-4

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) 3.09 9.7 -9.29 0 2 0 18 208.264 2 ↓
Lo Low (pH 4.5-6) 3.09 10.18 -33.73 1 2 1 19 209.272 2 ↓

Vendor Notes

Note Type Comments Provided By
Melting_Point 108-110? Alfa-Aesar
Purity 97% Fluorochem

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
C11B1-2-E Cytochrome P450 11B1 (cluster #2 Of 2), Eukaryotic Eukaryotes 246 0.58 Binding ≤ 10μM
C11B2-1-E Cytochrome P450 11B2 (cluster #1 Of 2), Eukaryotic Eukaryotes 865 0.53 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
C11B1_HUMAN P15538 Cytochrome P450 11B1, Human 246 0.58 Binding ≤ 1μM
C11B2_HUMAN P19099 Cytochrome P450 11B2, Human 865 0.53 Binding ≤ 1μM
C11B1_HUMAN P15538 Cytochrome P450 11B1, Human 246 0.58 Binding ≤ 10μM
C11B2_HUMAN P19099 Cytochrome P450 11B2, Human 865 0.53 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Endogenous sterols
Glucocorticoid biosynthesis
Mineralocorticoid biosynthesis

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

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