UCSF

ZINC13589376

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
June 22nd, 2008 12 No

Popular Name: 2-hydroxy-4-isopropyl-benzaldehyde 2-hydroxy-4-isopropyl-benzaldehyde

Find On: PubMed — Wikipedia — Google

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) 3.16 4.72 -8.03 1 2 0 37 164.204 2 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
TYRO-1-E Tyrosinase (cluster #1 Of 2), Eukaryotic Eukaryotes 2300 0.66 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
TYRO_HUMAN P14679 Tyrosinase, Human 2300 0.66 Binding ≤ 10μM

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