UCSF

ZINC01433060

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Substance Information

In ZINC since Heavy atoms Benign functionality
December 28th, 2005 7 Yes

Popular Name: Cyclobutanecarboximidamide hydrochloride Cyclobutanecarboximidamide hydro…

Find On: PubMed — Wikipedia — Google

CAS Numbers: 71690-89-6 , 748081-82-5 , [71690-89-6]

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) 0.45 1.3 -29.37 4 2 1 52 99.157 1 ↓

Vendor Notes

Note Type Comments Provided By
MP 166 - 168 Enamine Building Blocks
MP 166...168 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem
Melting_Point ca 160? dec. Alfa-Aesar
Melting_Point ca 160° dec. Alfa-Aesar

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
NOS2-9-E Nitric Oxide Synthase, Inducible (cluster #9 Of 9), Eukaryotic Eukaryotes 380 1.28 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
NOS2_HUMAN P35228 Nitric Oxide Synthase, Inducible, Human 380 1.28 Binding ≤ 1μM
NOS2_HUMAN P35228 Nitric Oxide Synthase, Inducible, Human 380 1.28 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Nitric oxide stimulates guanylate cyclase
Phagosomal maturation (early endosomal stage)

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

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