UCSF

ZINC06070275

Substance Information

In ZINC since Heavy atoms Benign functionality
March 4th, 2006 17 Yes

CAS Number: [34169-69-2]

Other Names:

MFCD20274973

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) 2.89 -0.01 -8.1 1 2 0 37 232.323 2

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 1300 0.48 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z102380 Z102380 Ileum 1300 0.48 Functional ≤ 10μM

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