UCSF

ZINC00680891

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 25th, 2004 27 Yes

Popular Name: 2-[(1-phenyl-1H-tetraazol-5-yl)sulfanyl]-N-[4-(1H-tetraazol-1-yl)phenyl]acetamide 2-[(1-phenyl-1H-tetraazol-5-yl)s…

Find On: PubMed — Wikipedia — Google

Other Names:

MFCD02577336

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) 0.97 2.73 -18.92 1 10 0 116 379.409 6 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Q9N6S8-1-E Falcipain 2 (cluster #1 Of 2), Eukaryotic Eukaryotes 7500 0.27 Binding ≤ 10μM
Q9NBA7-1-E Cysteine Protease Falcipain-3 (cluster #1 Of 2), Eukaryotic Eukaryotes 5400 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 5400 0.27 Binding ≤ 10μM
Q9N6S8_PLAFA Q9N6S8 Falcipain 2, Plafa 7500 0.27 Binding ≤ 10μM

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