UCSF

ZINC58351744

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Substance Information

In ZINC since Heavy atoms Benign functionality
February 5th, 2011 28 Yes

Popular Name: 2-[4-(benzofuran-2-carbonyl)piperazin-1-yl]-1-[(3R,5R)-3,5-dimethyl-1-piperidyl]ethanone 2-[4-(benzofuran-2-carbonyl)pipe…

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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) 2.81 8.48 -12.59 0 6 0 57 383.492 3 ↓
Lo Low (pH 4.5-6) 2.81 10.64 -47.46 1 6 1 58 384.5 3 ↓

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

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