UCSF

ZINC67934780

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 17th, 2011 22 Yes

Popular Name: 1-(10-methyl-3,10-diazaspiro[5.6]dodecan-3-yl)-2-(3-pyridyl)ethanone 1-(10-methyl-3,10-diazaspiro[5.6…

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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) 1.41 8.43 -45.31 1 4 1 38 302.442 2 ↓
Lo Low (pH 4.5-6) 1.41 8.89 -78.45 2 4 2 39 303.45 2 ↓

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

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