UCSF

ZINC00161805

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 11 No

Popular Name: DNC013586 DNC013586

Find On: PubMed — Wikipedia — Google

CAS Number: 7335-35-5

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) 1.13 0.77 -13.7 3 4 0 61 152.153 1 ↓
Hi High (pH 8-9.5) 1.13 1.98 -54.46 2 4 -1 64 151.145 1 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
TYRO-4-F Tyrosinase (cluster #4 Of 8), Fungal Fungi 290 0.83 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
TYRO_AGABI O42713 Tyrosinase, Agabi 290 0.83 Binding ≤ 1μM
TYRO_AGABI O42713 Tyrosinase, Agabi 290 0.83 Binding ≤ 10μM

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

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