UCSF

ZINC29317776

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
March 12th, 2009 33 Yes

Popular Name: 2-Glutamic acid, N-(4-(2-(2-amino-1,4-dihydro-4-oxo-6-pteridinyl)ethylamino)benzoyl)-; 9-Methylfolic acid; BRN 1096825; Glutamic acid, N-(p-((2-(2-amino-4-hydroxy-6-pteridinyl)ethyl)amino)benzoyl)-; Homofolate; Homofolic acid; L-Glutamic acid, N-(4-((2-(2 2-Glutamic acid, N-(4-(2-(2-amin…

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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) -1.96 2.17 -143.68 5 13 -2 219 453.415 10 ↓
Hi High (pH 8-9.5) -1.51 1.08 -190.5 4 13 -3 222 452.407 10 ↓
Lo Low (pH 4.5-6) -1.96 1.05 -88.05 6 13 -1 216 454.423 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 2200 0.24 Functional ≤ 10μM
Z50362-1-O Lactobacillus Casei (cluster #1 Of 1), Other Other 220 0.28 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z50266 Z50266 Enterococcus Faecium 2200 0.24 Functional ≤ 10μM
Z50362 Z50362 Lactobacillus Casei 220 0.28 Functional ≤ 10μM

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

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