UCSF

ZINC21528209

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Substance Information

In ZINC since Heavy atoms Benign functionality
December 6th, 2008 23 Yes

Popular Name: 8-ethyl-3-methyl-2-oxo-N-[[(2S)-tetrahydrofuran-2-yl]methyl]-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carbox 8-ethyl-3-methyl-2-oxo-N-[[(2S)-…

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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) 1.39 6.69 -51.62 2 6 1 69 323.413 4 ↓
Mid Mid (pH 6-8) 1.39 4.42 -8.87 1 6 0 68 322.405 4 ↓

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Rings

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