UCSF

ZINC15280332

Substance Information

In ZINC since Heavy atoms Benign functionality
July 22nd, 2008 32 No

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) -2.91 -2.18 -152.66 7 18 -2 288 537.233 8
Ref Reference (pH 7) -4.08 -0.78 -227.22 5 18 -3 287 536.225 8
Ref Reference (pH 7) -2.45 -4.3 -207.21 6 18 -3 291 536.225 8
Mid Mid (pH 6-8) -4.08 0.09 -355.18 5 18 -4 287 535.217 8

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
OPRK-5-E Kappa Opioid Receptor (cluster #5 Of 6), Eukaryotic Eukaryotes 0 0.00 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
OPRK_HUMAN P41145 Kappa Opioid Receptor, Human 0.1 0.44 Binding ≤ 1μM
OPRK_HUMAN P41145 Kappa Opioid Receptor, Human 0.1 0.44 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
G alpha (i) signalling events
Peptide ligand-binding receptors

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