UCSF

ZINC67740875

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 14th, 2011 20 Yes

Popular Name: 3-(3-ethoxypropanoyl)-7-methyl-3,7,10-triazaspiro[5.5]undecan-11-one 3-(3-ethoxypropanoyl)-7-methyl-3…

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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) -0.25 2.78 -49.23 2 6 1 63 284.38 4 ↓
Mid Mid (pH 6-8) -0.25 0.6 -9.72 1 6 0 62 283.372 4 ↓

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

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