UCSF

ZINC00169194

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 12 No

Popular Name: 4-nitro-1H-indazole 4-nitro-1H-indazole

Find On: PubMed — Wikipedia — Google

CAS Numbers: 2942-40-7 , [2942-40-7]

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) 1.54 3.73 -9.81 1 5 0 75 163.136 1 ↓

Vendor Notes

Note Type Comments Provided By
melting_point 199 - 203 KeyOrganics
MP 199-203° Matrix Scientific
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem
Purity >95% Matrix Scientific
PUBCHEM_PATENT_ID EP0495477B1; EP0507284B1; EP0706082A1; EP0749266A2; EP0749266A3; EP0752614A2; EP0752614A3; EP0768568A2; EP0768568A3; EP0768568B1; EP0823656A3; US3988347; US4096333; US4146630; US4153460; US4171975; US4636456; US5298372; US5356761; US5457009; US5464730; US IBM Patent Data
PUBCHEM_PATENT_ID EP0793140A1; EP0793140B1; EP0834767B1; EP0869391A1; EP0897130A1; EP0902322A1; EP0957398A1; EP0974866A1; EP0996032A1; EP1020760A2; EP1045284A1; US5328801; US5981138; US5994040; US6025122; US6027872; US6063560; US6087086; US6114081; US6132950; US6140038; US IBM Patent Data
Warnings IRRITANT Matrix Scientific
PUBCHEM_PATENT_ID US5328801 IBM Patent Data

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
NOS1-5-E Nitric-oxide Synthase, Brain (cluster #5 Of 7), Eukaryotic Eukaryotes 3100 0.64 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
NOS1_HUMAN P29475 Nitric-oxide Synthase, Brain, Human 3100 0.64 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.