UCSF

ZINC62532833

Draw Identity 99% 90% 80% 70%

Substance Information

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

Popular Name: (2S)-4-(3-azaspiro[5.5]undecan-3-yl)-2-(isopropylamino)butanamide (2S)-4-(3-azaspiro[5.5]undecan-3…

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) 2.74 4.9 -48.88 4 4 1 60 296.479 6 ↓
Lo Low (pH 4.5-6) 2.74 5.96 -117.65 5 4 2 64 297.487 6 ↓

Activity (Go SEA)

Rings

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

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