UCSF

ZINC42852398

Substance Information

In ZINC since Heavy atoms Benign functionality
May 5th, 2010 22 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) 3.61 7.54 -9.44 0 4 0 37 302.37 7

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z102380-2-O Ileum (cluster #2 Of 3), Other Other 620 0.40 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z102380 Z102380 Ileum 620 0.40 Functional ≤ 10μM

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