UCSF

ZINC41585066

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Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 38 Yes

Popular Name: 8-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]methyl]-7-hydroxy-3-(4-methoxyphenyl)-2-methyl-chro 8-[[4-(1,3-benzodioxol-5-ylmethy…

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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) 4.70 9.32 -56.97 2 8 1 86 515.586 6 ↓
Mid Mid (pH 6-8) 4.70 7.07 -14.81 1 8 0 85 514.578 6 ↓
Mid Mid (pH 6-8) 4.70 9.36 -54.86 2 8 1 86 515.586 6 ↓

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Rings

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