UCSF

ZINC55118994

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
December 11th, 2010 27 Yes

Popular Name: 8-[(3S)-1-ethyl-3-methyl-piperidine-3-carbonyl]-2-isopentyl-1,3,8-triazaspiro[4.5]dec-1-en-4-one 8-[(3S)-1-ethyl-3-methyl-piperid…

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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) 2.36 7.74 -47.3 2 6 1 66 377.553 5 ↓
Lo Low (pH 4.5-6) 2.36 8.44 -93.13 3 6 2 68 378.561 5 ↓

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

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