UCSF

ZINC67754838

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 15th, 2011 25 No

Popular Name: 3-[(5-methyl-2,1,3-benzothiadiazol-4-yl)sulfonyl]-3,7,10-triazaspiro[5.5]undecan-11-one 3-[(5-methyl-2,1,3-benzothiadiaz…

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) 0.91 -0.96 -20.87 2 8 0 104 381.483 2 ↓
Mid Mid (pH 6-8) 0.91 0.2 -62.81 3 8 1 109 382.491 2 ↓

Activity (Go SEA)

Rings

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

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