UCSF

ZINC18144619

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2008 25 Yes

Popular Name: Babim Babim

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) -0.18 1.82 -81.71 10 8 2 161 334.387 4 ↓
Lo Low (pH 4.5-6) -0.18 2.23 -145.96 11 8 3 162 335.395 4 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
TRY1-1-E Trypsin I (cluster #1 Of 5), Eukaryotic Eukaryotes 100 0.39 Binding ≤ 10μM
TRYB1-1-E Tryptase Beta-1 (cluster #1 Of 1), Eukaryotic Eukaryotes 140 0.38 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
TRY1_HUMAN P07477 Trypsin I, Human 100 0.39 Binding ≤ 1μM
TRYB1_HUMAN Q15661 Tryptase Beta-1, Human 140 0.38 Binding ≤ 1μM
TRY1_HUMAN P07477 Trypsin I, Human 100 0.39 Binding ≤ 10μM
TRYB1_HUMAN Q15661 Tryptase Beta-1, Human 140 0.38 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Activation of Matrix Metalloproteinases
Cobalamin (Cbl, vitamin B12) transport and metabolism

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

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