UCSF

ZINC00130832

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 18 No

Popular Name: Salicylidene Benzoylhydrazone Salicylidene Benzoylhydrazone

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CAS Number: 3232-37-9

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) 3.04 -1.46 -14.73 2 4 0 61 240.262 3 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z80491-3-O SK-N-MC (Neuroepithelioma Cells) (cluster #3 Of 4), Other Other 3230 0.43 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z80491 Z80491 SK-N-MC (Neuroepithelioma Cells) 3230 0.43 Functional ≤ 10μM

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