UCSF

ZINC01630765

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2004 25 No

Popular Name: 6-(6-formyl-2,3,4-trimethoxy-phenyl)piperonal 6-(6-formyl-2,3,4-trimethoxy-phe…

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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) 2.89 2.87 -15.25 0 7 0 80 344.319 6 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z80125-9-O DU-145 (Prostate Carcinoma) (cluster #9 Of 9), Other Other 3660 0.30 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z80125 Z80125 DU-145 (Prostate Carcinoma) 3660 0.30 Functional ≤ 10μM

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