UCSF

ZINC65507934

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 18th, 2011 25 Yes

Popular Name: 4-[4-[(6-ethoxy-3-pyridyl)methyl]piperazin-1-yl]furo[3,2-c]pyridine 4-[4-[(6-ethoxy-3-pyridyl)methyl…

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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) 2.22 5.14 -9.44 0 6 0 55 338.411 5 ↓
Mid Mid (pH 6-8) 2.22 7.37 -46.41 1 6 1 56 339.419 5 ↓
Mid Mid (pH 6-8) 2.22 5.6 -33.73 1 6 1 56 339.419 5 ↓
Lo Low (pH 4.5-6) 2.22 7.83 -103.43 2 6 2 57 340.427 5 ↓

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Rings

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

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