UCSF

ZINC69922093

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 31st, 2011 36 Yes

Popular Name: [(1R)-2-[4-[4-(2-fluorophenoxy)butanoyl]piperazin-1-yl]-1-methyl-ethyl] [(1R)-2-[4-[4-(2-fluorophenoxy)b…

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Download: MOL2 SDF SMILES Flexibase

Annotations

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Vendors

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) 4.15 12.14 -26.5 0 7 0 68 504.574 14 ↓
Lo Low (pH 4.5-6) 4.15 14.33 -66.17 1 7 1 70 505.582 14 ↓

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

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