UCSF

ZINC20573418

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 25th, 2008 26 No

Popular Name: (2Z)-2-(2-furylmethylene)-6-hydroxy-4-methyl-7-[(4-methylpiperazin-1-yl)methyl]benzofuran-3-one (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) 2.46 7.32 -29.2 1 6 0 74 354.406 3 ↓
Hi High (pH 8-9.5) 2.46 4.96 -46.26 0 6 -1 73 353.398 3 ↓
Hi High (pH 8-9.5) 2.46 7.16 -55.38 1 6 0 74 354.406 3 ↓
Mid Mid (pH 6-8) 2.46 7 -48.38 2 6 1 71 355.414 3 ↓
Mid Mid (pH 6-8) 2.46 4.04 -9.95 1 6 0 70 354.406 3 ↓
Lo Low (pH 4.5-6) 2.46 6.87 -45.55 2 6 1 71 355.414 3 ↓

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