UCSF

ZINC22671276

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
December 19th, 2008 32 Yes

Popular Name: 2-[[4-(2,5-dichlorothiophene-3-carbonyl)piperazin-1-yl]methyl]-5-[(4-fluorophenyl)methoxy]pyran-4-on 2-[[4-(2,5-dichlorothiophene-3-c…

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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) 3.26 9.95 -18.82 0 6 0 63 497.375 6 ↓
Mid Mid (pH 6-8) 3.26 12.21 -67.79 1 6 1 64 498.383 6 ↓

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

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