UCSF

ZINC03793139

Substance Information

In ZINC since Heavy atoms Benign functionality
September 26th, 2005 9 No

CAS Number: 51209-75-7

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) -2.71 -3.3 -32.24 3 5 0 97 150.159 4

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z50597-9-O Rattus Norvegicus (cluster #9 Of 12), Other Other 2 1.35 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z50597 Z50597 Rattus Norvegicus 2 1.35 Functional ≤ 10μM

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