UCSF

ZINC62953604

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 2011 19 Yes

Popular Name: (3S,4R)-3-(8-azaspiro[4.5]decan-8-yl)-N-ethyl-tetrahydropyran-4-amine (3S,4R)-3-(8-azaspiro[4.5]decan-…

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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) 2.48 6.13 -33.61 2 3 1 26 267.437 3 ↓
Hi High (pH 8-9.5) 2.48 5.43 -35.06 2 3 1 29 267.437 3 ↓
Hi High (pH 8-9.5) 2.48 4.3 -0.89 1 3 0 24 266.429 3 ↓
Lo Low (pH 4.5-6) 2.48 7.3 -115.77 3 3 2 30 268.445 3 ↓

Activity (Go SEA)

Rings

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

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