UCSF

ZINC43814059

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Substance Information

In ZINC since Heavy atoms Benign functionality
May 19th, 2010 18 Yes

Popular Name: (8S,9R)-N-methyl-9-(1-piperidyl)-1,4-dioxaspiro[4.5]decan-8-amine (8S,9R)-N-methyl-9-(1-piperidyl)…

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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) 1.56 4.89 -27.49 2 4 1 35 255.382 2 ↓
Hi High (pH 8-9.5) 1.56 2.51 -3.01 1 4 0 34 254.374 2 ↓
Lo Low (pH 4.5-6) 1.56 5.98 -108.24 3 4 2 40 256.39 2 ↓

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US4360531 IBM Patent Data

Activity (Go SEA)

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