UCSF

ZINC13519063

Substance Information

In ZINC since Heavy atoms Benign functionality
June 21st, 2008 8 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) 0.93 3.68 -43.77 0 2 -1 40 133.192 4
Hi High (pH 8-9.5) 0.93 4.23 -96.9 0 2 -2 40 132.184 4

Vendor Notes

Note Type Comments Provided By
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks

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 1400 1.02 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
FOLH1_HUMAN Q04609 Glutamate Carboxypeptidase II, Human 1400 1.02 Binding ≤ 10μM

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