UCSF

ZINC36216302

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2009 42 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) 3.20 5.18 -209.82 11 8 3 137 578.822 17
Hi High (pH 8-9.5) 3.20 4.06 -105.52 10 8 2 132 577.814 17
Hi High (pH 8-9.5) 3.20 3.19 -53.53 9 8 1 128 576.806 17
Hi High (pH 8-9.5) 3.20 3.93 -135.32 10 8 2 132 577.814 17
Mid Mid (pH 6-8) 3.20 5.5 -200.38 11 8 3 133 578.822 17
Mid Mid (pH 6-8) 3.20 6.48 -338.82 12 8 4 138 579.83 17
Mid Mid (pH 6-8) 3.20 6.63 -357.16 12 8 4 138 579.83 17

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
OPRM-1-E Mu-type Opioid Receptor (cluster #1 Of 4), Eukaryotic Eukaryotes 13 0.26 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
OPRM_RAT P33535 Mu Opioid Receptor, Rat 13 0.26 Binding ≤ 1μM
OPRM_RAT P33535 Mu Opioid Receptor, Rat 13 0.26 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
G alpha (i) signalling events
G-protein activation
Opioid Signalling
Peptide ligand-binding receptors

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