UCSF

ZINC28345987

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
February 26th, 2009 15 Yes

Popular Name: 4-amino-N-thiazol-2-yl-pyridine-2-carboxamide 4-amino-N-thiazol-2-yl-pyridine-…

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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) 1.05 1.18 -29.64 4 5 1 85 221.265 1 ↓
Hi High (pH 8-9.5) 0.19 0.77 -35.83 3 5 0 88 220.257 2 ↓
Hi High (pH 8-9.5) 0.19 0.11 -50.41 2 5 -1 87 219.249 2 ↓
Mid Mid (pH 6-8) 0.13 1.3 -14.55 3 5 0 81 220.257 2 ↓
Lo Low (pH 4.5-6) 0.13 1.71 -41.55 4 5 1 82 221.265 2 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
AMPM-2-B Methionine Aminopeptidase (cluster #2 Of 3), Bacterial Bacteria 6710 0.48 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
AMPM_ECOLI P0AE18 Methionine Aminopeptidase, Ecoli 6710 0.48 Binding ≤ 10μM

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

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