UCSF

ZINC62952634

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 2011 18 Yes

Popular Name: [(3S)-3-(8-azaspiro[4.5]decan-8-yl)-1-methyl-pyrrolidin-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) 1.25 4.33 -34.21 3 3 1 34 252.426 2 ↓
Hi High (pH 8-9.5) 1.25 2.35 -0.73 2 3 0 32 251.418 2 ↓
Mid Mid (pH 6-8) 1.25 4.52 -26.31 3 3 1 34 252.426 2 ↓
Mid Mid (pH 6-8) 1.25 3.16 -43.18 3 3 1 34 252.426 2 ↓
Mid Mid (pH 6-8) 1.25 4.96 -122.15 4 3 2 35 253.434 2 ↓
Lo Low (pH 4.5-6) 1.25 6.87 -227.65 5 3 3 37 254.442 2 ↓

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

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