UCSF

ZINC62952052

Draw Identity 99% 90% 80% 70%

Substance Information

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

Popular Name: (1R,2S)-1-(8-azaspiro[4.5]decan-8-yl)-1-(2-thienyl)propan-2-amine (1R,2S)-1-(8-azaspiro[4.5]decan-…

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) 2.92 6.31 -35.57 3 2 1 31 279.473 3 ↓
Hi High (pH 8-9.5) 2.92 6.13 -1.11 2 2 0 29 278.465 3 ↓
Mid Mid (pH 6-8) 2.92 8.12 -114.5 4 2 2 32 280.481 3 ↓
Mid Mid (pH 6-8) 2.92 7.77 -31.47 3 2 1 30 279.473 3 ↓

Activity (Go SEA)

Rings

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

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