UCSF

ZINC62532842

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
May 2nd, 2011 21 Yes

Popular Name: (2R)-4-(9-azaspiro[5.5]undecan-9-yl)-2-(cyclopropylamino)butanamide (2R)-4-(9-azaspiro[5.5]undecan-9…

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) 2.44 5.12 -50.35 4 4 1 60 294.463 6 ↓
Lo Low (pH 4.5-6) 2.44 6.12 -118.91 5 4 2 64 295.471 6 ↓

Activity (Go SEA)

Rings

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

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