UCSF

ZINC04217528

Substance Information

In ZINC since Heavy atoms Benign functionality
November 15th, 2005 34 Yes

CAS Number: 15534-92-6

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) 8.85 4.02 -59.45 2 4 -1 80 467.67 7

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z50590-1-O Sus Scrofa (cluster #1 Of 1), Other Other 110 0.29 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z50590 Z50590 Sus Scrofa 110 0.29 Functional ≤ 10μM

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