UCSF

ZINC26144771

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Substance Information

In ZINC since Heavy atoms Benign functionality
February 4th, 2009 41 No

Popular Name: N-(3,4-dimethoxyphenyl)-N-[(1S,4R,5S)-7-[2-(3,4-dimethoxyphenyl)ethyl]-7-azabicyclo[2.2.1]heptan-5-y N-(3,4-dimethoxyphenyl)-N-[(1S,4…

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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) 4.66 14.02 -52.81 1 10 1 108 562.643 11 ↓
Hi High (pH 8-9.5) 4.66 11.66 -12.94 0 10 0 106 561.635 11 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z50512-1-O Cavia Porcellus (cluster #1 Of 7), Other Other 100 0.24 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z50512 Z50512 Cavia Porcellus 100 0.24 Functional ≤ 10μM

Rings

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