UCSF

ZINC58554829

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
February 9th, 2011 34 Yes

Popular Name: 2-[5-(2,4-dimethoxyphenyl)-1H-pyrazol-3-yl]-6-[(2R,3S)-2-(hydroxymethyl)-1-methyl-pyrrolidin-3-yl]-3 2-[5-(2,4-dimethoxyphenyl)-1H-py…

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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) 2.87 3.45 -43.94 4 9 1 111 470.546 8 ↓
Mid Mid (pH 6-8) 2.87 4.2 -47.33 3 9 0 113 469.538 8 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
TYRO-1-F Tyrosinase (cluster #1 Of 8), Fungal Fungi 960 0.25 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
TYRO_AGABI O42713 Tyrosinase, Agabi 840 0.25 Binding ≤ 1μM
TYRO_AGABI O42713 Tyrosinase, Agabi 1750 0.24 Binding ≤ 10μM

Rings

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

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