UCSF

ZINC23362829

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
December 30th, 2008 28 Yes

Popular Name: (2S)-N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-3-methyl-butanamid (2S)-N-(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) 2.02 5.49 -24.55 2 8 0 113 421.548 8 ↓
Hi High (pH 8-9.5) 2.20 4.45 -49.02 1 8 -1 120 420.54 8 ↓

Activity (Go SEA)

Rings

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

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