UCSF

ZINC70336313

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2011 21 Yes

Popular Name: (2R,4S)-4-(8-azaspiro[4.5]decan-8-yl)-2-(cyclopropylamino)-2-methyl-pentan-1-ol (2R,4S)-4-(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) 2.78 6.86 -94.1 4 3 2 41 296.499 6 ↓
Mid Mid (pH 6-8) 2.78 7.04 -28.89 3 3 1 40 295.491 6 ↓

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Rings

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

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