UCSF

ZINC28764808

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Substance Information

In ZINC since Heavy atoms Benign functionality
March 7th, 2009 32 Yes

Popular Name: (2S)-5-amino-2-[[4-[[(6R)-2-amino-4-hydroxy-5,6,7,8-tetrahydropteridin-6-yl]methylamino]benzoyl]amin (2S)-5-amino-2-[[4-[[(6R)-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) -2.51 -0.27 -73.91 9 13 -1 220 443.444 9 ↓
Lo Low (pH 4.5-6) -2.51 0.16 -93.81 10 13 0 225 444.452 9 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
FOLC-1-E Folylpoly-gamma-glutamate Synthetase (cluster #1 Of 1), Eukaryotic Eukaryotes 10000 0.22 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
FOLC_HUMAN Q05932 Folylpoly-gamma-glutamate Synthetase, Human 10000 0.22 Binding ≤ 10μM

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