UCSF

ZINC62952652

Draw Identity 99% 90% 80% 70%

Substance Information

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

Popular Name: [(3R)-3-(8-azaspiro[4.5]decan-8-yl)-1-isopropyl-pyrrolidin-3-yl]methanamine [(3R)-3-(8-azaspiro[4.5]decan-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) 1.92 5 -28.51 3 3 1 34 280.48 3 ↓
Hi High (pH 8-9.5) 1.92 3.35 -0.28 2 3 0 32 279.472 3 ↓
Mid Mid (pH 6-8) 1.92 7.5 -101.15 4 3 2 35 281.488 3 ↓
Mid Mid (pH 6-8) 1.92 5.49 -123.58 4 3 2 35 281.488 3 ↓
Lo Low (pH 4.5-6) 1.92 7.96 -229.26 5 3 3 37 282.496 3 ↓

Activity (Go SEA)

Rings

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

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