UCSF

ZINC41585863

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Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 37 No

Popular Name: (2Z)-2-[(6-chloro-4H-1,3-benzodioxin-8-yl)methylene]-6-hydroxy-4-methyl-7-[[4-(2-pyridyl)piperazin-1 (2Z)-2-[(6-chloro-4H-1,3-benzodi…

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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) 4.39 9.37 -35.02 2 8 1 90 520.993 4 ↓
Hi High (pH 8-9.5) 4.39 9.75 -45.51 0 8 -1 91 518.977 4 ↓
Mid Mid (pH 6-8) 4.39 10.13 -52.03 1 8 0 92 519.985 4 ↓
Mid Mid (pH 6-8) 4.39 8.98 -11.69 1 8 0 88 519.985 4 ↓
Mid Mid (pH 6-8) 4.39 11.17 -47.6 2 8 1 89 520.993 4 ↓
Lo Low (pH 4.5-6) 4.39 11.59 -102.62 3 8 2 91 522.001 4 ↓

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

No pre-computed analogs available. Try a structural similarity search.