UCSF

ZINC13408050

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
June 18th, 2008 33 Yes

Popular Name: diethyl 4-(4-fluorophenyl)-2,6-dihydroxy-2,6-bis(trifluoromethyl)piperidine-3,5-dicarboxylate diethyl 4-(4-fluorophenyl)-2,6-d…

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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) 4.08 4.95 -10.8 3 7 0 105 491.356 9 ↓
Hi High (pH 8-9.5) 4.08 6.41 -103.1 1 7 -2 111 489.34 9 ↓
Hi High (pH 8-9.5) 4.08 4.51 -34.8 2 7 -1 108 490.348 9 ↓
Mid Mid (pH 6-8) 4.08 5.68 -32.71 2 7 -1 108 490.348 9 ↓

Vendor Notes

Note Type Comments Provided By
mp 83 - 85 MolMall (formerly Molecular Diversity Preservation International)

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Rings

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

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