UCSF

ZINC62951877

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 2011 19 Yes

Popular Name: (4-amino-5-methyl-2-thienyl)-(8-azaspiro[4.5]decan-8-yl)methanone (4-amino-5-methyl-2-thienyl)-(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) 2.79 6.23 -7.29 2 3 0 46 278.421 1 ↓
Lo Low (pH 4.5-6) 2.79 6.01 -45.43 3 3 1 48 279.429 1 ↓

Activity (Go SEA)

Rings

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

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