UCSF

ZINC41585370

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 29 No

Popular Name: 7-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-6-hydroxy-2-isopropylidene-4-methyl-benzofuran-3-one 7-[[4-(2-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) 4.24 10.24 -44.24 2 5 1 58 397.47 3 ↓
Mid Mid (pH 6-8) 4.24 8.81 -46.16 0 5 -1 60 395.454 3 ↓
Mid Mid (pH 6-8) 4.24 11.03 -30.79 1 5 0 61 396.462 3 ↓
Mid Mid (pH 6-8) 4.24 8.04 -9.24 1 5 0 57 396.462 3 ↓

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

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