UCSF

ZINC67739713

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 14th, 2011 26 Yes

Popular Name: 2-furyl-[1-methyl-4-[(3-methyl-2-thienyl)methyl]-1,4,9-triazaspiro[5.5]undecan-9-yl]methanone 2-furyl-[1-methyl-4-[(3-methyl-2…

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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) 2.69 8.19 -46.46 1 5 1 41 374.53 3 ↓
Mid Mid (pH 6-8) 2.69 6.32 -9.56 0 5 0 40 373.522 3 ↓

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

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