UCSF

ZINC20624785

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 26th, 2008 31 No

Popular Name: (2Z)-2-[(3,4-dimethoxyphenyl)methylene]-7-[(4-ethylpiperazin-1-yl)methyl]-6-hydroxy-benzofuran-3-one (2Z)-2-[(3,4-dimethoxyphenyl)met…

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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) 2.85 7.65 -30.26 1 7 0 79 424.497 6 ↓
Hi High (pH 8-9.5) 2.85 5.32 -43.68 0 7 -1 78 423.489 6 ↓
Mid Mid (pH 6-8) 2.85 6.9 -47.38 2 7 1 77 425.505 6 ↓
Mid Mid (pH 6-8) 2.85 7.7 -55.24 1 7 0 79 424.497 6 ↓
Mid Mid (pH 6-8) 2.85 4.53 -14.6 1 7 0 75 424.497 6 ↓
Lo Low (pH 4.5-6) 2.85 6.86 -47.52 2 7 1 77 425.505 6 ↓

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