UCSF

ZINC43814529

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Substance Information

In ZINC since Heavy atoms Benign functionality
May 19th, 2010 20 Yes

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

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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) 2.44 6.56 -28.96 2 4 1 35 283.436 4 ↓
Hi High (pH 8-9.5) 2.44 4.21 -2.55 1 4 0 34 282.428 4 ↓
Hi High (pH 8-9.5) 2.44 5.71 -34.08 2 4 1 38 283.436 4 ↓
Mid Mid (pH 6-8) 2.44 7.57 -110.51 3 4 2 40 284.444 4 ↓

Activity (Go SEA)

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