UCSF

ZINC13588078

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Substance Information

In ZINC since Heavy atoms Benign functionality
June 22nd, 2008 24 Yes

Popular Name: (3R)-3-(2-methoxyphenyl)-N-methyl-3-(1-naphthyloxy)propan-1-amine (3R)-3-(2-methoxyphenyl)-N-methy…

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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) 4.80 9.87 -39.41 2 3 1 35 322.428 7 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
SC6A4-1-E Serotonin Transporter (cluster #1 Of 4), Eukaryotic Eukaryotes 2 0.51 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
SC6A4_HUMAN P31645 Serotonin Transporter, Human 2.3 0.50 Binding ≤ 1μM
SC6A4_HUMAN P31645 Serotonin Transporter, Human 2.3 0.50 Binding ≤ 10μM

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