UCSF

ZINC02379521

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2004 11 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) 2.70 -1.16 -40.5 3 1 1 27 154.277 1

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
NISCH-4-E Nischarin (cluster #4 Of 4), Eukaryotic Eukaryotes 42 0.94 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
NISCH_HUMAN Q9Y2I1 Nischarin, Human 42 0.94 Binding ≤ 1μM
NISCH_HUMAN Q9Y2I1 Nischarin, Human 42 0.94 Binding ≤ 10μM

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