UCSF

ZINC23363543

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
December 30th, 2008 23 Yes

Popular Name: N-[2-[(5-butyl-1,3,4-thiadiazol-2-yl)amino]-2-oxo-ethyl]-2-iodo-benzamide N-[2-[(5-butyl-1,3,4-thiadiazol-…

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) 3.40 6.62 -17.59 2 6 0 84 444.298 7 ↓
Hi High (pH 8-9.5) 3.22 5.55 -42.58 1 6 -1 90 443.29 7 ↓

Activity (Go SEA)

Rings

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

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