UCSF

ZINC62951988

Draw Identity 99% 90% 80% 70%

Substance Information

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

Popular Name: (2R)-2-(8-azaspiro[4.5]decan-8-yl)-2-(5-bromo-2-thienyl)ethanamine (2R)-2-(8-azaspiro[4.5]decan-8-y…

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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) 3.45 6.06 -48.39 3 2 1 31 344.342 3 ↓
Hi High (pH 8-9.5) 3.45 5.71 -1.19 2 2 0 29 343.334 3 ↓
Mid Mid (pH 6-8) 3.45 7.86 -35.43 3 2 1 30 344.342 3 ↓
Mid Mid (pH 6-8) 3.45 8.21 -126.37 4 2 2 32 345.35 3 ↓

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Rings

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

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