UCSF

ZINC00196926

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 16 Yes

Popular Name: AI3-08431; BRN 0175481; LS-105705; Phenoxathiin, 10,10-dioxide AI3-08431; BRN 0175481; LS-10570…

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Other Names:

MFCD00093639

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) 2.67 -2.78 -13.14 0 3 0 43 232.26 0 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
AOFA-6-E Monoamine Oxidase A (cluster #6 Of 8), Eukaryotic Eukaryotes 50 0.64 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
AOFA_RAT P21396 Monoamine Oxidase A, Rat 50 0.64 Binding ≤ 1μM
AOFA_RAT P21396 Monoamine Oxidase A, Rat 50 0.64 Binding ≤ 10μM

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