UCSF

ZINC62954404

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 2011 17 Yes

Popular Name: 8-[(3S,6R)-6-methyl-3-piperidyl]-8-azaspiro[4.5]decane 8-[(3S,6R)-6-methyl-3-piperidyl]…

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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) 2.73 7.85 -108.27 3 2 2 21 238.419 1 ↓
Hi High (pH 8-9.5) 2.73 5.66 -36.01 2 2 1 20 237.411 1 ↓
Hi High (pH 8-9.5) 2.73 4.4 -0.45 1 2 0 15 236.403 1 ↓
Mid Mid (pH 6-8) 2.73 6.6 -32.64 2 2 1 16 237.411 1 ↓

Activity (Go SEA)

Rings

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

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