UCSF

ZINC43226442

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Substance Information

In ZINC since Heavy atoms Benign functionality
May 10th, 2010 16 No

Popular Name: 4-HC 4-HC

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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) 0.40 -1.14 -12.76 2 6 0 71 293.087 6 ↓

Vendor Notes

Note Type Comments Provided By
UniProt Database Links ALDB_ECOLI ChEBI

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z81264-2-O V79 (Lung Fibroblasts) (cluster #2 Of 2), Other Other 3100 0.48 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z81264 Z81264 V79 (Lung Fibroblasts) 2700 0.49 Functional ≤ 10μM

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