UCSF

ZINC62813606

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
May 14th, 2011 19 Yes

Popular Name: 9-azaspiro[5.5]undecan-9-yl-[(2S)-piperazin-2-yl]methanone 9-azaspiro[5.5]undecan-9-yl-[(2S…

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) 1.12 3.4 -48.49 3 4 1 49 266.409 1 ↓
Hi High (pH 8-9.5) 1.12 2.04 -6.72 2 4 0 44 265.401 1 ↓

Activity (Go SEA)

Rings

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

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