UCSF

ZINC01228042

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 13th, 2004 27 No

Popular Name: 4-[(E)-[3-chloro-4-[(E)-(2,4-dihydroxybenzylidene)amino]phenyl]iminomethyl]resorcinol 4-[(E)-[3-chloro-4-[(E)-(2,4-dih…

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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) 4.48 -5.75 -14.84 4 6 0 105 382.803 4 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Q9N6S8-2-E Falcipain 2 (cluster #2 Of 2), Eukaryotic Eukaryotes 2100 0.29 Binding ≤ 10μM
Q9NBA7-2-E Cysteine Protease Falcipain-3 (cluster #2 Of 2), Eukaryotic Eukaryotes 7500 0.27 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Q9NBA7_PLAFA Q9NBA7 Cysteine Protease Falcipain-3, Plafa 7500 0.27 Binding ≤ 10μM
Q9N6S8_PLAFA Q9N6S8 Falcipain 2, Plafa 2100 0.29 Binding ≤ 10μM

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

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