UCSF

ZINC60537931

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
March 27th, 2011 18 No

Popular Name: 8-(2,2,2-trifluoroacetyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione 8-(2,2,2-trifluoroacetyl)-1,3,8-…

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) -0.33 -0.59 -10.97 2 6 0 79 265.191 1 ↓
Hi High (pH 8-9.5) -0.15 -3.24 -40.08 1 6 -1 85 264.183 1 ↓

Activity (Go SEA)

Rings

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

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