UCSF

ZINC16958043

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 11th, 2008 32 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) 0.58 6.88 -56.75 2 10 -1 158 434.384 7 ↓
Hi High (pH 8-9.5) 1.67 3.17 -245.41 0 10 -3 168 432.368 7 ↓
Mid Mid (pH 6-8) 0.76 3.95 -151.98 1 10 -2 165 433.376 7 ↓
Mid Mid (pH 6-8) 1.48 5.82 -130.1 1 10 -2 161 433.376 7 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
GRB7-1-E Growth Factor Receptor-bound Protein 7 (cluster #1 Of 1), Eukaryotic Eukaryotes 7120 0.23 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
GRB7_HUMAN Q14451 Growth Factor Receptor-bound Protein 7, Human 7120 0.23 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Downstream signal transduction
GRB7 events in ERBB2 signaling
Signaling by SCF-KIT
Tie2 Signaling

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

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