UCSF

ZINC41585030

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Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 35 No

Popular Name: (2Z)-7-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]methyl]-6-hydroxy-2-(4-pyridylmethylene)benzof (2Z)-7-[[4-(1,3-benzodioxol-5-yl…

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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) 2.82 7.8 -54.29 2 8 1 89 472.521 5 ↓
Hi High (pH 8-9.5) 2.82 6.1 -43.12 0 8 -1 91 470.505 5 ↓
Mid Mid (pH 6-8) 2.82 7.82 -52.66 2 8 1 89 472.521 5 ↓
Mid Mid (pH 6-8) 2.82 8.39 -34.74 1 8 0 92 471.513 5 ↓
Mid Mid (pH 6-8) 2.82 5.53 -12.83 1 8 0 88 471.513 5 ↓
Lo Low (pH 4.5-6) 2.82 8.26 -106.77 3 8 2 91 473.529 5 ↓

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

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