UCSF

ZINC49581028

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 6th, 2010 32 Yes

Popular Name: [2-[(2-cyanobenzofuran-3-yl)amino]-2-oxo-ethyl] [2-[(2-cyanobenzofuran-3-yl)amin…

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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) 1.88 8.71 -21.78 2 9 0 139 453.476 11 ↓

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Rings

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

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