UCSF

ZINC06432923

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Substance Information

In ZINC since Heavy atoms Benign functionality
March 28th, 2006 21 No

Popular Name: 3-(3,5-dimethoxyphenyl)-1-(3-hydroxyphenyl)-prop-2-en-1-one 3-(3,5-dimethoxyphenyl)-1-(3-hyd…

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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) 3.35 4.98 -11.64 1 4 0 56 284.311 5 ↓
Hi High (pH 8-9.5) 3.35 5.78 -54.12 0 4 -1 59 283.303 5 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z50459-1-O Leishmania Donovani (cluster #1 Of 8), Other Other 3700 0.36 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z50459 Z50459 Leishmania Donovani 3700 0.36 Functional ≤ 10μM

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

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