UCSF

ZINC41514085

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Substance Information

In ZINC since Heavy atoms Benign functionality
April 20th, 2010 31 No

Popular Name: (2Z)-2-[(4-ethylphenyl)methylene]-6-hydroxy-7-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-4-methyl-be (2Z)-2-[(4-ethylphenyl)methylene…

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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) 3.48 6.75 -43.52 3 6 1 78 423.533 6 ↓
Hi High (pH 8-9.5) 3.48 5.03 -45.97 1 6 -1 80 421.517 6 ↓
Mid Mid (pH 6-8) 3.48 6.81 -41.48 3 6 1 78 423.533 6 ↓
Mid Mid (pH 6-8) 3.48 7.32 -30.35 2 6 0 81 422.525 6 ↓
Mid Mid (pH 6-8) 3.48 4.48 -9.76 2 6 0 77 422.525 6 ↓

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