UCSF

ZINC05729787

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Substance Information

In ZINC since Heavy atoms Benign functionality
February 10th, 2006 23 No

Popular Name: 2-(4-methoxyphenyl)-N'-(2-oxo-1,2-dihydro-3H-indol-3-ylidene)acetohydrazide 2-(4-methoxyphenyl)-N'-(2-oxo-1,…

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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) 2.48 4.64 -14.64 2 6 0 84 309.325 4 ↓
Ref Reference (pH 7) 2.48 4.5 -21.31 2 6 0 84 309.325 4 ↓
Hi High (pH 8-9.5) 2.94 2.88 -46.63 1 6 -1 87 308.317 4 ↓
Hi High (pH 8-9.5) 2.94 2.61 -60.35 1 6 -1 87 308.317 4 ↓

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 7630 0.31 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
MET_HUMAN P08581 Hepatocyte Growth Factor Receptor, Human 7630 0.31 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.