UCSF

ZINC00394970

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2004 18 Yes

Popular Name: (3-chlorophenyl)-(2-naphthyl)amine (3-chlorophenyl)-(2-naphthyl)amine

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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) 5.77 0.54 -4.75 1 1 0 12 253.732 2 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
BIRC5-2-E Baculoviral IAP Repeat-containing Protein 5 (cluster #2 Of 2), Eukaryotic Eukaryotes 10000 0.39 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
BIRC5_HUMAN O15392 Baculoviral IAP Repeat-containing Protein 5, Human 10000 0.39 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Mitotic Prometaphase
Resolution of Sister Chromatid Cohesion
Separation of Sister Chromatids

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

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