UCSF

ZINC17161877

Substance Information

In ZINC since Heavy atoms Benign functionality
September 16th, 2008 20 No

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) 4.21 7.01 -37.47 0 3 -1 44 303.363 3
Ref Reference (pH 7) 4.70 7.56 -6.83 1 3 0 45 304.371 2
Hi High (pH 8-9.5) 5.16 5.08 -43.24 0 3 -1 48 303.363 2
Hi High (pH 8-9.5) 5.16 5.75 -42.36 0 3 -1 48 303.363 2

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
MPIP2-1-E Dual Specificity Phosphatase Cdc25B (cluster #1 Of 2), Eukaryotic Eukaryotes 8900 0.35 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
MPIP2_HUMAN P30305 Dual Specificity Phosphatase Cdc25B, Human 8900 0.35 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Cyclin A/B1 associated events during G2/M transition
Cyclin A:Cdk2-associated events at S phase entry
Cyclin B2 mediated events

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