UCSF

ZINC20591561

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 25th, 2008 28 No

Popular Name: (2Z)-2-(2-furylmethylene)-6-hydroxy-7-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-4-methyl-benzofuran (2Z)-2-(2-furylmethylene)-6-hydr…

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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) 1.82 4.11 -51.15 3 7 1 91 385.44 5 ↓
Mid Mid (pH 6-8) 1.82 1.78 -15.77 2 7 0 90 384.432 5 ↓
Mid Mid (pH 6-8) 1.82 4.75 -29.54 2 7 0 94 384.432 5 ↓
Mid Mid (pH 6-8) 1.82 2.43 -49.76 1 7 -1 93 383.424 5 ↓
Mid Mid (pH 6-8) 1.82 4.18 -44.2 3 7 1 91 385.44 5 ↓

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