UCSF

ZINC40767501

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Substance Information

In ZINC since Heavy atoms Benign functionality
April 12th, 2010 21 No

Popular Name: methyl methyl

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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) 3.40 7.57 -17.96 0 3 0 43 347.263 3 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Q7JHP9-1-E Transporter (cluster #1 Of 1), Eukaryotic Eukaryotes 8 0.54 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Q7JHP9_MACMU Q7JHP9 Transporter, Macmu 7.8 0.54 Binding ≤ 1μM
Q7JHP9_MACMU Q7JHP9 Transporter, Macmu 7.8 0.54 Binding ≤ 10μM

Rings

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