UCSF

ZINC41585572

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 28 No

Popular Name: 7-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-6-hydroxy-2-isopropylidene-benzofuran-3-one 7-[[4-(4-fluorophenyl)piperazin-…

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Download: MOL2 SDF SMILES Flexibase

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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) 3.91 6.96 -9.48 1 5 0 57 382.435 3 ↓
Mid Mid (pH 6-8) 3.91 7.73 -40.86 0 5 -1 60 381.427 3 ↓
Mid Mid (pH 6-8) 3.91 9.18 -50.25 2 5 1 58 383.443 3 ↓
Mid Mid (pH 6-8) 3.91 9.94 -32.26 1 5 0 61 382.435 3 ↓

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Rings

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

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