UCSF

ZINC00225866

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 17 No

Popular Name: 2,3,4-Trihydroxybenzophenone 2,3,4-Trihydroxybenzophenone

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CAS Numbers: 1143-72-2 , [1143-72-2]

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) 2.36 0.9 -10.41 3 4 0 78 230.219 2 ↓
Hi High (pH 8-9.5) 2.36 1.84 -48.92 2 4 -1 81 229.211 2 ↓

Vendor Notes

Note Type Comments Provided By
Melting_Point 140-142? Alfa-Aesar
Melting_Point 140-142° Alfa-Aesar
MP 141 TCI
Purity 95% Fluorochem
Purity >99% APIChem

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
LUXP-1-B Autoinducer 2-binding Periplasmic Protein LuxP (cluster #1 Of 2), Bacterial Bacteria 4000 0.44 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
LUXP_VIBHA P54300 Autoinducer 2-binding Periplasmic Protein LuxP, Vibha 4000 0.44 Functional ≤ 10μM

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