UCSF

ZINC00196523

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 17 Yes

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) 1.83 7.42 -42.36 1 3 -1 52 293.14 1

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
MIF-3-E Macrophage Migration Inhibitory Factor (cluster #3 Of 3), Eukaryotic Eukaryotes 3400 0.45 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
MIF_HUMAN P14174 Macrophage Migration Inhibitory Factor, Human 3400 0.45 Binding ≤ 10μM

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