UCSF

ZINC12359992

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Substance Information

In ZINC since Heavy atoms Benign functionality
May 9th, 2008 17 No

Popular Name: 2'-HYDROXYCHALCONE 2'-HYDROXYCHALCONE

Find On: PubMed — Wikipedia — Google

CAS Numbers: 1214-47-7 , 888-12-0 , [1214-47-7] , [888-12-0]

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) 3.75 7.77 -9.69 1 2 0 37 224.259 3 ↓
Hi High (pH 8-9.5) 3.75 8.78 -55.84 0 2 -1 40 223.251 3 ↓

Vendor Notes

Note Type Comments Provided By
MP 88 TCI
M.P. 88-89 C Indofine
MP 88-89o C Indofine
Melting_Point 89-91? Alfa-Aesar
Melting_Point 89-91° Alfa-Aesar
Patent Database Links EP1925311 ChEBI
SOLUBILITY Soluble in Chloroform Indofine
SOLUBILITY Souble in Choroform Indofine
APPEARANCE Yellow powder Indofine

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z50587-3-O Homo Sapiens (cluster #3 Of 9), Other Other 4300 0.44 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z50587 Z50587 Homo Sapiens 4300 0.44 Functional ≤ 10μM

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