UCSF

ZINC16978457

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 11th, 2008 14 Yes

Popular Name: 1H-perimidin-2-amine hydrobromide hydrate 1H-perimidin-2-amine hydrobromid…

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CAS Numbers: 28832-64-6 , 29416-86-2 , 313223-13-1 , 40835-96-9 , [40835-96-9]

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) 2.39 5.84 -10.11 3 3 0 55 183.214 0 ↓

Vendor Notes

Note Type Comments Provided By
Purity 97 Fluorochem

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
NHAA-1-B Na(+)/H(+) Antiporter NhaA (cluster #1 Of 1), Bacterial Bacteria 2200 0.57 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
NHAA_ECOLI P13738 Na(+)/H(+) Antiporter NhaA, Ecoli 1700 0.58 Binding ≤ 10μM

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