UCSF

ZINC28876401

Substance Information

In ZINC since Heavy atoms Benign functionality
March 8th, 2009 14 No

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) -3.62 0.3 -185.26 2 8 -3 153 224.085 6
Lo Low (pH 4.5-6) -3.62 -1.67 -108.19 3 8 -2 150 225.093 6

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
FOLH1-1-E Glutamate Carboxypeptidase II (cluster #1 Of 2), Eukaryotic Eukaryotes 1 0.90 Binding ≤ 10μM
FOLH1-1-E Glutamate Carboxypeptidase II (cluster #1 Of 2), Eukaryotic Eukaryotes 2 0.87 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
FOLH1_HUMAN Q04609 Glutamate Carboxypeptidase II, Human 2.3 0.86 Binding ≤ 1μM
FOLH1_HUMAN Q04609 Glutamate Carboxypeptidase II, Human 2.3 0.86 Binding ≤ 10μM

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

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