UCSF

ZINC62952687

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Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 2011 17 No

Popular Name: [(3S)-3-(8-azaspiro[4.5]decan-8-yl)tetrahydrothiophen-3-yl]methanamine [(3S)-3-(8-azaspiro[4.5]decan-8-…

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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) 1.75 6.84 -129.52 4 2 2 32 256.459 2 ↓
Hi High (pH 8-9.5) 1.75 4.34 -1.67 2 2 0 29 254.443 2 ↓
Mid Mid (pH 6-8) 1.75 5.14 -46.97 3 2 1 31 255.451 2 ↓
Mid Mid (pH 6-8) 1.75 6.48 -33.71 3 2 1 30 255.451 2 ↓

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

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