UCSF

ZINC23504861

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Substance Information

In ZINC since Heavy atoms Benign functionality
January 3rd, 2009 17 Yes

Popular Name: 1-Phenyl-2-benzylamino-propan [German]; 1-Phenyl-2-benzylaminopropane; LS-103130; Norbenzphetamine; Phenethylamine, N-benzyl-alpha-methyl- 1-Phenyl-2-benzylamino-propan [G…

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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) 3.63 8.38 -2.61 1 1 0 12 225.335 5 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
SGMR1-1-E Sigma Opioid Receptor (cluster #1 Of 6), Eukaryotic Eukaryotes 103 0.58 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
SGMR1_RAT Q9R0C9 Sigma Opioid Receptor, Rat 103 0.58 Binding ≤ 1μM
SGMR1_HUMAN Q99720 Sigma Opioid Receptor, Human 117 0.57 Binding ≤ 1μM
SGMR1_RAT Q9R0C9 Sigma Opioid Receptor, Rat 103 0.58 Binding ≤ 10μM
SGMR1_HUMAN Q99720 Sigma Opioid Receptor, Human 117 0.57 Binding ≤ 10μM

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