UCSF

ZINC14003058

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 1st, 2008 22 No

Popular Name: benzeneacetic acid, 4-chloro-, (1,2-dihydro-2-oxo-3H-indol-3-ylidene)hydrazide benzeneacetic acid, 4-chloro-, (…

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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) 3.10 5.86 -13.12 2 5 0 74 313.744 3 ↓
Hi High (pH 8-9.5) 3.56 4.1 -44.34 1 5 -1 77 312.736 3 ↓
Hi High (pH 8-9.5) 3.56 3.83 -58.41 1 5 -1 77 312.736 3 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
MET-1-E Hepatocyte Growth Factor Receptor (cluster #1 Of 1), Eukaryotic Eukaryotes 5870 0.33 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
MET_HUMAN P08581 Hepatocyte Growth Factor Receptor, Human 5870 0.33 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Sema4D mediated inhibition of cell attachment and migration

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

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