UCSF

ZINC20897920

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 29th, 2008 26 Yes

Popular Name: [4-(2-fluorophenyl)piperazin-1-yl]-(4,5,6,7,8,9-hexahydrocycloocta[d]thiophen-2-yl)methanone [4-(2-fluorophenyl)piperazin-1-y…

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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) 5.17 11.51 -9.3 0 3 0 24 372.509 2 ↓

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Rings

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

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