UCSF

ZINC54430928

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
December 3rd, 2010 21 Yes

Popular Name: (4-amino-1,2,5-oxadiazol-3-yl)-[4-[(5-chloro-2-thienyl)methyl]piperazin-1-yl]methanone (4-amino-1,2,5-oxadiazol-3-yl)-[…

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) 1.67 3.18 -6.1 2 7 0 88 327.797 3 ↓
Lo Low (pH 4.5-6) 1.67 5.34 -49.07 3 7 1 90 328.805 3 ↓

Activity (Go SEA)

Rings

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

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