UCSF

ZINC22309057

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
December 14th, 2008 23 No

Popular Name: PBDA PBDA

Find On: PubMed — Wikipedia — Google

CAS Number: 229472-51-9

Other Names:

FN-6

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) -1.82 7.53 -407.12 0 10 -5 201 349.208 12 ↓
Lo Low (pH 4.5-6) -1.82 6.02 -303.63 1 10 -4 198 350.216 12 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
FOLH1-2-E Glutamate Carboxypeptidase II (cluster #2 Of 2), Eukaryotic Eukaryotes 1 0.55 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
FOLH1_RAT P70627 Glutamate Carboxypeptidase II, Rat 0.5 0.57 Binding ≤ 1μM
FOLH1_RAT P70627 Glutamate Carboxypeptidase II, Rat 0.5 0.57 Binding ≤ 10μM

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

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