UCSF

ZINC62957717

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 2011 21 Yes

Popular Name: N-[[2-(8-azaspiro[4.5]decan-8-yl)-4-pyridyl]methyl]propan-1-amine N-[[2-(8-azaspiro[4.5]decan-8-yl…

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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) 3.42 9.98 -42.84 2 3 1 33 288.459 5 ↓
Hi High (pH 8-9.5) 3.42 8.95 -27.32 2 3 1 29 288.459 5 ↓
Hi High (pH 8-9.5) 3.42 8.62 -3.38 1 3 0 28 287.451 5 ↓

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

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