UCSF

ZINC67489691

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Substance Information

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

Popular Name: (5S)-3-(2-naphthylmethyl)-3,7-diazaspiro[4.5]decane (5S)-3-(2-naphthylmethyl)-3,7-di…

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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) 2.96 10.36 -111.08 3 2 2 21 282.431 2 ↓
Mid Mid (pH 6-8) 2.96 7.85 -40.2 2 2 1 20 281.423 2 ↓

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

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