UCSF

ZINC00058014

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 14 Yes

Popular Name: 3-Cyano-7-Hydroxycoumarin 3-Cyano-7-Hydroxycoumarin

Find On: PubMed — Wikipedia — Google

CAS Numbers: 19088-73-4 , [19088-73-4]

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) 1.19 3.53 -16.09 1 4 0 74 187.154 0 ↓

Vendor Notes

Note Type Comments Provided By
M.P 271-273 C Indofine
MP 271-273o C Indofine
SOLUBILITY Freely soluble in DMF Indofine
APPEARANCE Light reddish powder Indofine
SOLUBILITY Soluble in DMF Indofine

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
MIF-1-E Macrophage Migration Inhibitory Factor (cluster #1 Of 3), Eukaryotic Eukaryotes 2900 0.55 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
MIF_HUMAN P14174 Macrophage Migration Inhibitory Factor, Human 2900 0.55 Binding ≤ 10μM

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