UCSF

ZINC41585033

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Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 38 No

Popular Name: (2Z)-7-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]methyl]-6-hydroxy-2-[(4-nitrophenyl)methylene] (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) 4.07 10.24 -56.46 2 10 1 122 516.53 6 ↓
Hi High (pH 8-9.5) 4.07 8.56 -43.79 0 10 -1 124 514.514 6 ↓
Mid Mid (pH 6-8) 4.07 10.29 -56.77 2 10 1 122 516.53 6 ↓
Mid Mid (pH 6-8) 4.07 10.86 -36.65 1 10 0 125 515.522 6 ↓
Mid Mid (pH 6-8) 4.07 7.99 -14.74 1 10 0 121 515.522 6 ↓

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

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