UCSF

ZINC62960118

Draw Identity 99% 90% 80% 70%

Substance Information

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

Popular Name: (2S)-1-(8-azaspiro[4.5]decan-8-yl)-2-piperazin-1-yl-propan-1-one (2S)-1-(8-azaspiro[4.5]decan-8-y…

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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) 1.21 4.97 -42.27 2 4 1 40 280.436 2 ↓
Hi High (pH 8-9.5) 1.21 3.62 -7.64 1 4 0 36 279.428 2 ↓

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

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