UCSF

ZINC12218970

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Substance Information

In ZINC since Heavy atoms Benign functionality
April 5th, 2008 23 Yes

Popular Name: (1S)-6-propyl-N-[3-(4-pyridyl)propyl]-6-azaspiro[2.5]octane-1-carboxamide (1S)-6-propyl-N-[3-(4-pyridyl)pr…

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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 -0.99 -47.38 2 4 1 46 316.469 7 ↓
Lo Low (pH 4.5-6) 2.44 -0.88 -91.24 3 4 2 48 317.477 7 ↓

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Rings

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