UCSF

ZINC03830683

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 30th, 2005 18 Yes

Popular Name: Dezocine Dezocine

Find On: PubMed — Wikipedia — Google

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) 3.17 -2.69 -46.53 4 2 1 47 246.374 0 ↓

Vendor Notes

Note Type Comments Provided By
ALOGPS_SOLUBILITY 1.40e-02 g/l DrugBank-approved
PUBCHEM_PATENT_ID EP0180303A1; EP0647448A1; EP0687175A1; EP0721348A1; EP0721348B1; EP0721349A1; EP0737066A1; EP0783341A2; EP0785775A1; EP0816375A1; EP0828516A1; EP0859610A1; EP0914097A2; EP0920422A1; EP0946507A1; EP0977748A1; EP0984974A1; EP1003494A1; EP1011608A2; EP101736 IBM Patent Data

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 38 0.58 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
OPRM_HUMAN P35372 Mu Opioid Receptor, Human 38 0.58 Binding ≤ 1μM
OPRM_HUMAN P35372 Mu Opioid Receptor, Human 38 0.58 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% )