UCSF

ZINC69517145

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 26th, 2011 24 No

Popular Name: 8-[(2-isopropoxy-5-nitro-phenyl)methyl]-1,4-dioxa-8-azaspiro[4.5]decane 8-[(2-isopropoxy-5-nitro-phenyl)…

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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) 2.70 8.81 -40.32 1 7 1 78 337.396 5 ↓
Mid Mid (pH 6-8) 2.70 6.54 -7.79 0 7 0 77 336.388 5 ↓

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

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