UCSF

ZINC03875456

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 5th, 2005 22 No

Popular Name: MI MI

Find On: PubMed — Wikipedia — Google

CAS Numbers: 68-90-6 , [68-90-6]

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) 6.24 -0.77 -7.24 1 3 0 50 518.088 3 ↓

Vendor Notes

Note Type Comments Provided By
Indications vasodilator KeyOrganics Bioactives

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
BIRC5-1-E Baculoviral IAP Repeat-containing Protein 5 (cluster #1 Of 2), Eukaryotic Eukaryotes 8000 0.32 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 8000 0.32 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.