UCSF

ZINC67947911

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 17th, 2011 21 Yes

Popular Name: 3-[(E)-3-(2-methoxyphenyl)allyl]-3,8-diazaspiro[4.5]decane 3-[(E)-3-(2-methoxyphenyl)allyl]…

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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) 2.56 8.71 -97.45 3 3 2 30 288.435 4 ↓
Hi High (pH 8-9.5) 2.56 6.19 -42.05 2 3 1 29 287.427 4 ↓

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

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