UCSF

ZINC62957723

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 2011 21 Yes

Popular Name: N-[[6-(8-azaspiro[4.5]decan-8-yl)-2-pyridyl]methyl]propan-1-amine N-[[6-(8-azaspiro[4.5]decan-8-yl…

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) 3.53 9.92 -36.07 2 3 1 33 288.459 5 ↓
Mid Mid (pH 6-8) 3.53 8.85 -24.69 2 3 1 29 288.459 5 ↓

Activity (Go SEA)

Rings

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

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