UCSF

ZINC13340245

Substance Information

In ZINC since Heavy atoms Benign functionality
June 17th, 2008 20 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) 2.77 3.32 -9.34 2 4 0 59 274.316 5

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 140 0.48 Functional ≤ 10μM
Z50597-12-O Rattus Norvegicus (cluster #12 Of 12), Other Other 5830 0.37 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z102380 Z102380 Ileum 140 0.48 Functional ≤ 10μM
Z50597 Z50597 Rattus Norvegicus 5830 0.37 Functional ≤ 10μM

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