UCSF

ZINC41585278

Draw Identity 99% 90% 80% 70%

Substance Information

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

Popular Name: 7-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-6-hydroxy-2-isopropylidene-benzofuran-3-one 7-[[4-(3-chlorophenyl)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) 4.40 7.68 -9.1 1 5 0 57 398.89 3 ↓
Mid Mid (pH 6-8) 4.40 8.28 -42.19 0 5 -1 60 397.882 3 ↓
Mid Mid (pH 6-8) 4.40 9.92 -47.39 2 5 1 58 399.898 3 ↓
Mid Mid (pH 6-8) 4.40 10.49 -30.42 1 5 0 61 398.89 3 ↓

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Rings

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

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