UCSF

ZINC62953747

Draw Identity 99% 90% 80% 70%

Substance Information

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

Popular Name: (3R,4S)-3-(8-azaspiro[4.5]decan-8-yl)-N-propyl-tetrahydropyran-4-amine (3R,4S)-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 6.96 -30.74 2 3 1 26 281.464 4 ↓
Hi High (pH 8-9.5) 2.98 4.64 -1.13 1 3 0 24 280.456 4 ↓
Hi High (pH 8-9.5) 2.98 6.17 -35.8 2 3 1 29 281.464 4 ↓
Lo Low (pH 4.5-6) 2.98 8.06 -118.13 3 3 2 30 282.472 4 ↓

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Rings

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

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