UCSF

ZINC13671886

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Substance Information

In ZINC since Heavy atoms Benign functionality
June 23rd, 2008 12 Yes

Popular Name: 4-(m-tolyl)-3H-triazole 4-(m-tolyl)-3H-triazole

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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) 1.88 3.78 -6.22 1 3 0 42 159.192 1 ↓

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0199351A2; EP0246623A2; EP0255726A2; EP0288261A1; EP0288261B1; EP0329051A2; EP0383283A2; EP0386669A2; EP0392443A2; EP0393523A2; EP0393721A2; EP0397167A2; EP0398355A2; EP0465078B1; EP0552010A1; EP0552010B1; EP0587338A3; EP0638842A1; EP0679933B1; EP069995 IBM Patent Data
PUBCHEM_PATENT_ID EP0322553A1 IBM Patent Data

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
AMPM2-2-E Methionine Aminopeptidase 2 (cluster #2 Of 2), Eukaryotic Eukaryotes 18 0.90 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
AMPM2_HUMAN P50579 Methionine Aminopeptidase 2, Human 18 0.90 Binding ≤ 1μM
AMPM2_HUMAN P50579 Methionine Aminopeptidase 2, Human 18 0.90 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Inactivation, recovery and regulation of the phototransduction cascade

Rings

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

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