UCSF

ZINC62949062

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
May 19th, 2011 18 Yes

Popular Name: 3-[(3S,6R)-6-methyl-3-piperidyl]-3-azaspiro[5.5]undecane 3-[(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) 3.24 8.22 -109.86 3 2 2 21 252.446 1 ↓
Hi High (pH 8-9.5) 3.24 6.01 -36.19 2 2 1 20 251.438 1 ↓
Hi High (pH 8-9.5) 3.24 4.75 -0.32 1 2 0 15 250.43 1 ↓
Mid Mid (pH 6-8) 3.24 6.96 -33.29 2 2 1 16 251.438 1 ↓

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Rings

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

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