UCSF

ZINC00164284

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 18 No

Popular Name: 2-(Phenylsulfonyl)acetophenone 2-(Phenylsulfonyl)acetophenone

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CAS Numbers: 3/9/3406 12:00:00 AM , 3406-03-9

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) 1.96 -2.19 -17.7 0 3 0 51 260.314 4 ↓

Vendor Notes

Note Type Comments Provided By
Melting_Point 92-96? Alfa-Aesar
Melting_Point 92-96° Alfa-Aesar
MP 93-95° Fluorochem
MP 95 TCI
Purity 99% Fluorochem

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z50425-2-O Plasmodium Falciparum (cluster #2 Of 22), Other Other 1000 0.47 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z50425 Z50425 Plasmodium Falciparum 1000 0.47 Functional ≤ 10μM

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