UCSF

ZINC27858942

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Substance Information

In ZINC since Heavy atoms Benign functionality
February 21st, 2009 14 Yes

Popular Name: N-propyl-1,2,3,4-tetrahydronaphthalen-2-amine hydrochloride N-propyl-1,2,3,4-tetrahydronapht…

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CAS Numbers: 19485-87-1 , 22583-92-2

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) 3.28 7.62 -41.93 2 1 1 17 190.31 3 ↓

Vendor Notes

Note Type Comments Provided By
MP 247 - 249 Enamine Building Blocks
MP 247...249 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
5HT1A-1-E Serotonin 1a (5-HT1a) Receptor (cluster #1 Of 4), Eukaryotic Eukaryotes 19 0.77 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
5HT1A_RAT P19327 Serotonin 1a (5-HT1a) Receptor, Rat 19 0.77 Binding ≤ 1μM
5HT1A_RAT P19327 Serotonin 1a (5-HT1a) Receptor, Rat 19 0.77 Binding ≤ 10μM

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