UCSF

ZINC03978794

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 28th, 2005 21 No

Popular Name: Physcion Physcion

Find On: PubMed — Wikipedia — Google

CAS Numbers: 32791-84-7 , 521-61-9 , CAS# 521-61-9 , [521-61-9]

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) 3.54 3.89 -10.33 2 5 0 84 284.267 1 ↓

Vendor Notes

Note Type Comments Provided By
MP 196-206°C Indofine
MP 198-203o C Indofine
Purity 97% Fluorochem
therap antibacterial, cathartic MicroSource Spectrum
Therapy antimicrobial, cathartic SMDC MicroSource
Target Others Selleck Chemicals
SOLUBILITY Soluble in Hexane/methylene chloride Indofine

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
ELNE-1-E Neutrophil Elastase (cluster #1 Of 3), Eukaryotic Eukaryotes 6200 0.35 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
ELNE_HUMAN P08246 Leukocyte Elastase, Human 6200 0.35 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Activation of Matrix Metalloproteinases
Collagen degradation
Degradation of the extracellular matrix

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