UCSF

ZINC62954123

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 2011 16 Yes

Popular Name: 8-[[(2S)-pyrrolidin-2-yl]methyl]-8-azaspiro[4.5]decane 8-[[(2S)-pyrrolidin-2-yl]methyl]…

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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) 2.40 7.93 -114.79 3 2 2 21 224.392 2 ↓
Hi High (pH 8-9.5) 2.40 5.97 -32.27 2 2 1 20 223.384 2 ↓
Mid Mid (pH 6-8) 2.40 6.8 -30.55 2 2 1 16 223.384 2 ↓

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

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