UCSF

ZINC67447402

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 9th, 2011 27 Yes

Popular Name: 2-ethyl-1-[10-[(1-ethylimidazol-2-yl)methyl]-7-methyl-3,7,10-triazaspiro[5.5]undecan-3-yl]butan-1-on 2-ethyl-1-[10-[(1-ethylimidazol-…

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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) 2.11 9.64 -98.03 2 6 2 47 377.577 6 ↓
Hi High (pH 8-9.5) 2.11 7.53 -11.67 0 6 0 45 375.561 6 ↓
Mid Mid (pH 6-8) 2.11 8.27 -33.6 1 6 1 46 376.569 6 ↓

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

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