UCSF

ZINC25627483

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Substance Information

In ZINC since Heavy atoms Benign functionality
January 31st, 2009 12 No

Popular Name: [(S)-hydroxy-phenyl-methyl]phosphonic [(S)-hydroxy-phenyl-methyl]phosp…

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Other Names:

MFCD03939530

MFCD07783287

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) -0.01 -0.68 -41.31 2 4 -1 81 187.111 2 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
MANR-1-B Mandelate Racemase (cluster #1 Of 1), Bacterial Bacteria 1100 0.70 Binding ≤ 10μM
MANR-1-B Mandelate Racemase (cluster #1 Of 1), Bacterial Bacteria 4700 0.62 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
MANR_PSEPU P11444 Mandelate Racemase, Psepu 1100 0.70 Binding ≤ 10μM

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