UCSF

ZINC62960096

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 2011 19 Yes

Popular Name: 8-[[(2R)-pyrrolidin-2-yl]methylsulfonyl]-8-azaspiro[4.5]decane 8-[[(2R)-pyrrolidin-2-yl]methyls…

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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) 1.78 5 -39.83 2 4 1 54 287.449 3 ↓
Hi High (pH 8-9.5) 1.78 3.61 -9.45 1 4 0 49 286.441 3 ↓

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

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