UCSF

ZINC13588690

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
June 22nd, 2008 6 Yes

Popular Name: 1,3-oxazolidin-2-imine 1,3-oxazolidin-2-imine

Find On: PubMed — Wikipedia — Google

CAS Number: 24665-93-8

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) -0.52 -3.05 -28.65 3 3 1 49 87.102 0 ↓
Ref Reference (pH 7) -0.39 -3.22 -28.88 3 3 1 47 87.102 0 ↓
Hi High (pH 8-9.5) -0.39 -3.72 -9.98 2 3 0 45 86.094 0 ↓

Vendor Notes

Note Type Comments Provided By
MP 108 TCI
MP 69 - 71 Enamine Building Blocks
MP 69...71 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
NOS2-2-E Nitric Oxide Synthase, Inducible (cluster #2 Of 9), Eukaryotic Eukaryotes 7900 1.19 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
NOS2_MOUSE P29477 Nitric Oxide Synthase, Inducible, Mouse 7900 1.19 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.