UCSF

ZINC40719842

Substance Information

In ZINC since Heavy atoms Benign functionality
April 11th, 2010 19 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) 1.88 3.98 -37.56 2 4 1 43 264.345 3
Hi High (pH 8-9.5) 1.88 1.38 -5.39 1 4 0 42 263.337 3

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z50597-1-O Rattus Norvegicus (cluster #1 Of 5), Other Other 61 0.53 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z50597 Z50597 Rattus Norvegicus 579 0.46 Binding ≤ 1μM
Z50597 Z50597 Rattus Norvegicus 579 0.46 Binding ≤ 10μM

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