UCSF

ZINC62957176

Draw Identity 99% 90% 80% 70%

Substance Information

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

Popular Name: 1-[(3S)-3-(8-azaspiro[4.5]decan-8-ylmethyl)tetrahydrofuran-3-yl]-N-methyl-methanamine 1-[(3S)-3-(8-azaspiro[4.5]decan-…

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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) 2.20 7.73 -101.06 3 3 2 30 268.445 4 ↓
Mid Mid (pH 6-8) 2.20 6.53 -32.59 2 3 1 26 267.437 4 ↓
Mid Mid (pH 6-8) 2.20 6.13 -40.61 2 3 1 29 267.437 4 ↓

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

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