UCSF

ZINC29219731

Substance Information

In ZINC since Heavy atoms Benign functionality
March 11th, 2009 41 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) -0.38 -0.68 -61.32 10 12 1 207 587.723 16
Hi High (pH 8-9.5) -0.38 -1.01 -25.47 9 12 0 206 586.715 16

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
OPRM-1-E Mu Opioid Receptor (cluster #1 Of 2), Eukaryotic Eukaryotes 17 0.27 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
OPRM_CAVPO P97266 Mu Opioid Receptor, Guinea Pig 17.4 0.26 Functional ≤ 10μM

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