UCSF

ZINC42429935

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
April 28th, 2010 20 Yes

Popular Name: 1-[2-[(2-amino-2-oxo-ethyl)-cyclopentyl-amino]ethyl]triazole-4-carboxylic 1-[2-[(2-amino-2-oxo-ethyl)-cycl…

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) -0.17 2.75 -72.74 3 8 0 118 281.316 7 ↓
Hi High (pH 8-9.5) -0.17 0.35 -52.9 2 8 -1 117 280.308 7 ↓

Activity (Go SEA)

Rings

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

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