UCSF

ZINC62953746

Draw Identity 99% 90% 80% 70%

Substance Information

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

Popular Name: (3R,4R)-3-(8-azaspiro[4.5]decan-8-yl)-N-propyl-tetrahydropyran-4-amine (3R,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) 2.98 7.6 -33.91 2 3 1 26 281.464 4 ↓
Hi High (pH 8-9.5) 2.98 5.87 -0.54 1 3 0 24 280.456 4 ↓
Hi High (pH 8-9.5) 2.98 6.66 -34.88 2 3 1 29 281.464 4 ↓
Lo Low (pH 4.5-6) 2.98 8.51 -116.63 3 3 2 30 282.472 4 ↓

Activity (Go SEA)

Rings

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

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