UCSF

ZINC03630922

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 9th, 2004 12 Yes

Popular Name: 4-Butylresorcinol 4-Butylresorcinol

Find On: PubMed — Wikipedia — Google

CAS Numbers: 18979-61-8 , [18979-61-8]

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) 3.24 -1.93 -4.63 2 2 0 40 166.22 3 ↓

Vendor Notes

Note Type Comments Provided By
BP 166 / 7 TCI
MP 53 TCI
Purity 95% Fluorochem

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
TYRO-7-F Tyrosinase (cluster #7 Of 8), Fungal Fungi 150 0.80 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
TYRO_AGABI O42713 Tyrosinase, Agabi 150 0.80 Binding ≤ 1μM
TYRO_AGABI O42713 Tyrosinase, Agabi 150 0.80 Binding ≤ 10μM

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