UCSF

ZINC41585035

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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-[(5-methyl-2-furyl)methyle (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) 3.59 8.82 -51.3 2 8 1 90 475.521 5 ↓
Hi High (pH 8-9.5) 3.59 7.34 -49.36 0 8 -1 91 473.505 5 ↓
Mid Mid (pH 6-8) 3.59 8.83 -47.03 2 8 1 90 475.521 5 ↓
Mid Mid (pH 6-8) 3.59 9.59 -32.5 1 8 0 93 474.513 5 ↓
Mid Mid (pH 6-8) 3.59 6.57 -13.53 1 8 0 89 474.513 5 ↓

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

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