UCSF

ZINC28262933

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
February 25th, 2009 34 Yes

Popular Name: (2S)-2-[[4-[(2S)-3-(2-amino-4-hydroxy-pteridin-6-yl)-2-methyl-propyl]benzoyl]amino]pentanedioic (2S)-2-[[4-[(2S)-3-(2-amino-4-hy…

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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) -0.90 5.66 -140.63 4 12 -2 207 466.454 10 ↓
Hi High (pH 8-9.5) -0.44 4.56 -188 3 12 -3 210 465.446 10 ↓
Lo Low (pH 4.5-6) -0.90 4.53 -87.82 5 12 -1 204 467.462 10 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z50266-1-O Enterococcus Faecium (cluster #1 Of 1), Other Other 250 0.27 Functional ≤ 10μM
Z50362-1-O Lactobacillus Casei (cluster #1 Of 1), Other Other 4000 0.22 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z50266 Z50266 Enterococcus Faecium 250 0.27 Functional ≤ 10μM
Z50362 Z50362 Lactobacillus Casei 4000 0.22 Functional ≤ 10μM

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

No pre-computed analogs available. Try a structural similarity search.