UCSF

ZINC48970381

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 21st, 2010 20 Yes

Popular Name: (7S,8S)-N7-methyl-N7-(4-methylcyclohexyl)-1,4-dioxaspiro[4.5]decane-7,8-diamine (7S,8S)-N7-methyl-N7-(4-methylcy…

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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) 1.42 5.71 -118.47 4 4 2 51 284.444 2 ↓
Hi High (pH 8-9.5) 1.42 3.54 -43.14 3 4 1 49 283.436 2 ↓
Hi High (pH 8-9.5) 1.42 5.5 -31.62 3 4 1 49 283.436 2 ↓

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

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