UCSF

ZINC41585036

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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-[(3-methyl-2-thienyl)methy (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) 4.39 8.88 -50.8 2 7 1 77 491.589 5 ↓
Hi High (pH 8-9.5) 4.39 7.4 -45.96 0 7 -1 78 489.573 5 ↓
Mid Mid (pH 6-8) 4.39 8.88 -48.14 2 7 1 77 491.589 5 ↓
Mid Mid (pH 6-8) 4.39 9.65 -31.9 1 7 0 79 490.581 5 ↓
Mid Mid (pH 6-8) 4.39 6.64 -11.31 1 7 0 75 490.581 5 ↓

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

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