UCSF

ZINC66066510

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 18th, 2011 34 No

Popular Name: 5-bromo-N-[4-(7,8-dimethoxy-2,3,4,5-tetrahydro-1-benzazepin-1-yl)butyl]-2,3-dimethoxy-benzohydrazide 5-bromo-N-[4-(7,8-dimethoxy-2,3,…

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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) 4.56 11.03 -46.32 3 8 1 88 537.475 10 ↓
Mid Mid (pH 6-8) 4.56 11.16 -15.98 2 8 0 87 536.467 10 ↓

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 2564 0.23 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
SGMR1_CAVPO Q60492 Sigma-1 Receptor, Guinea Pig 2564 0.23 Binding ≤ 10μM

Rings

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

No pre-computed analogs available. Try a structural similarity search.