UCSF

ZINC62953650

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 2011 17 Yes

Popular Name: (3R,4S)-3-(8-azaspiro[4.5]decan-8-yl)tetrahydropyran-4-amine (3R,4S)-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) 1.20 4.66 -123.89 4 3 2 41 240.391 1 ↓
Hi High (pH 8-9.5) 1.20 2.43 -1.53 2 3 0 38 238.375 1 ↓
Hi High (pH 8-9.5) 1.20 2.73 -41.75 3 3 1 40 239.383 1 ↓
Mid Mid (pH 6-8) 1.20 4.35 -32.54 3 3 1 40 239.383 1 ↓

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

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