UCSF

ZINC01433057

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
December 28th, 2005 6 Yes

Popular Name: Cyclopropanecarboximidamide hydrochloride Cyclopropanecarboximidamide hydr…

Find On: PubMed — Wikipedia — Google

CAS Numbers: 54070-74-5 , 57297-29-7 , [57297-29-7]

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) 0.27 0.78 -28.89 4 2 1 52 85.13 1 ↓

Vendor Notes

Note Type Comments Provided By
Melting_Point 122-123? Alfa-Aesar
Melting_Point 122-123° Alfa-Aesar
MP 124 - 126 Enamine Building Blocks
MP 124...126 Enamine Building Blocks
MP 127 TCI
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem
Purity 95+% Fluorochem
Purity 98% Fluorochem
Warnings IRRITANT, HYGROSCOPIC Matrix Scientific
Warnings Irritant/Hygroscopic Matrix Scientific

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 790 1.42 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
NOS2_HUMAN P35228 Nitric Oxide Synthase, Inducible, Human 790 1.42 Binding ≤ 1μM
NOS2_HUMAN P35228 Nitric Oxide Synthase, Inducible, Human 790 1.42 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.