UCSF

ZINC19167423

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2008 7 No

Popular Name: 3-hydrazinopropanoic 3-hydrazinopropanoic

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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) -1.83 -0.71 -55.8 4 4 0 83 104.109 3 ↓
Hi High (pH 8-9.5) -1.83 -1.26 -45.66 3 4 -1 78 103.101 3 ↓
Hi High (pH 8-9.5) -1.83 -1.47 -64.23 4 4 0 80 104.109 3 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
GABT-3-E Gamma-amino-N-butyrate Transaminase (cluster #3 Of 3), Eukaryotic Eukaryotes 20 1.54 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
GABT_PIG P80147 Gamma-amino-N-butyrate Transaminase, Pig 20 1.54 Binding ≤ 1μM
GABT_PIG P80147 Gamma-amino-N-butyrate Transaminase, Pig 20 1.54 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Degradation of GABA

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

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