UCSF

ZINC41585823

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Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 33 No

Popular Name: (2Z)-2-[(2-chlorophenyl)methylene]-6-hydroxy-4-methyl-7-[[4-(2-pyridyl)piperazin-1-yl]methyl]benzofu (2Z)-2-[(2-chlorophenyl)methylen…

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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) 4.63 10.16 -35.26 2 6 1 71 462.957 4 ↓
Hi High (pH 8-9.5) 4.63 10.54 -42.15 0 6 -1 73 460.941 4 ↓
Mid Mid (pH 6-8) 4.63 10.93 -50.83 1 6 0 74 461.949 4 ↓
Mid Mid (pH 6-8) 4.63 9.77 -9.64 1 6 0 70 461.949 4 ↓
Mid Mid (pH 6-8) 4.63 11.96 -50.53 2 6 1 71 462.957 4 ↓
Lo Low (pH 4.5-6) 4.63 12.39 -108.18 3 6 2 72 463.965 4 ↓

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