UCSF

ZINC41585006

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Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 36 No

Popular Name: (2Z)-7-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]methyl]-6-hydroxy-4-methyl-2-(2-pyridylmethyle (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) 3.32 8.83 -46.63 2 8 1 89 486.548 5 ↓
Hi High (pH 8-9.5) 3.32 7.1 -50.05 0 8 -1 91 484.532 5 ↓
Mid Mid (pH 6-8) 3.32 8.79 -53.12 2 8 1 89 486.548 5 ↓
Mid Mid (pH 6-8) 3.32 9.4 -33.47 1 8 0 92 485.54 5 ↓
Mid Mid (pH 6-8) 3.32 6.53 -14.55 1 8 0 88 485.54 5 ↓

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

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