UCSF

ZINC22357550

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Substance Information

In ZINC since Heavy atoms Benign functionality
December 15th, 2008 33 Yes

Popular Name: N-[(4-fluorophenyl)methyl]-4-[[4-oxo-5-(2-thienyl)-3H-thieno[2,3-d]pyrimidin-2-yl]methyl]piperazine- N-[(4-fluorophenyl)methyl]-4-[[4…

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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) 3.82 10.03 -83.93 3 7 1 83 484.602 5 ↓
Mid Mid (pH 6-8) 3.82 8.61 -20.09 2 7 0 81 483.594 5 ↓
Mid Mid (pH 6-8) 3.82 10.82 -65.9 3 7 1 83 484.602 5 ↓

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

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