UCSF

ZINC67934487

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 17th, 2011 23 Yes

Popular Name: 3-(4-isopropylthiadiazole-5-carbonyl)-7-methyl-3,7,10-triazaspiro[5.5]undecan-11-one 3-(4-isopropylthiadiazole-5-carb…

Find On: PubMed — Wikipedia — Google

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

    None

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) 0.94 3.25 -50.96 2 7 1 80 338.457 2 ↓
Mid Mid (pH 6-8) 0.94 1.08 -9.07 1 7 0 78 337.449 2 ↓

Activity (Go SEA)

Rings

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

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