UCSF

ZINC13822275

Substance Information

In ZINC since Heavy atoms Benign functionality
June 26th, 2008 24 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) 4.83 9.22 -51.7 1 5 -1 86 354.492 14
Lo Low (pH 4.5-6) 4.83 7.24 -13.56 2 5 0 83 355.5 14

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 6400 0.30 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z50597 Z50597 Rattus Norvegicus 3480 0.32 Functional ≤ 10μM

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